SCHEMBL9628890

SCHEMBL9628890

COc1ccc(-n2c3c(c(=O)c4cccnc42)CCCO3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
KAT2B Q92831 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
PDE4B Q07343 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
PDE10A Q9Y233 1/20 0.37
CYP1A2 P05177 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
USP2 O75604 1/20 0.37
DRD1 P21728 2/20 0.36
DRD5 P21918 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10378795 0.94 PKM (0.44) PKMKAT2BMAPTLMNAPDE4B
SCHEMBL10378415 0.90 EPHB4 (0.44) KAT2BMAPTLMNAPDE4BCYP1A2
SCHEMBL9628863 0.88 CYP2C19 (0.43) KAT2BPDE4BCYP1A2ALDH1A1KMT2A
SCHEMBL9628997 0.87 FEN1 (0.45) PDE4BALDH1A1KCNH2TSHR
SCHEMBL10377177 0.86 HPGD (0.43) KAT2BPDE4BGABRA1GABRG2GABRB3
SCHEMBL9629205 0.86 HPGD (0.43) KAT2BMAPTPDE4BGABRA1GABRG2
SCHEMBL9630909 0.83 KAT2B (0.44) KAT2BMAPTPDE4BCYP1A2USP2
SCHEMBL9629703 0.83 PKM (0.45) PKMKAT2BMAPTLMNAPDE4B
SCHEMBL10658737 0.82 MAPT (0.46) MAPTLMNACLK1DYRK1ADYRK1B
SCHEMBL9628999 0.81 CYP2C19 (0.44) KAT2BMAPTPDE4BCYP1A2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338010-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1992-02-05 EP claimed
EP-0127135-B1 FUSED TRICYCLIC DERIVATIVES OF NAPHTHYRIDINONE AND PYRIDONE AND THE CORRESPONDING THIONES SCHERING CORPORATION (US) 1990-08-29 EP claimed
EP-0228416-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES SCHERING CORPORATION (US) 1990-03-21 EP claimed
EP-0338010-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE. SCHERING CORP (US) 1989-10-25 EP claimed
WO-1988004172-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1988-06-16 WO claimed
EP-0228416-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES. SCHERING CORP (US) 1987-07-15 EP claimed
WO-1986007537-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES SCHERING CORPORATION (US) 1986-12-31 WO claimed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP claimed
EP-0338010-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1992-02-05 EP disclosed
EP-0127135-B1 FUSED TRICYCLIC DERIVATIVES OF NAPHTHYRIDINONE AND PYRIDONE AND THE CORRESPONDING THIONES SCHERING CORPORATION (US) 1990-08-29 EP disclosed
EP-0228416-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES SCHERING CORPORATION (US) 1990-03-21 EP disclosed
US-4801589-A QUINOLINE, NAPHTHYRIDINE, AND PYRIDO-PYRAZINE DERIVATIVES SCHERING CORPORATION (US) 1989-01-31 US disclosed
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
EP-0228416-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES. SCHERING CORP (US) 1987-07-15 EP disclosed
US-4680298-A Tricyclic anti-allergy and use as anti-inflammatory agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
US-4680297-A Tricyclic positive inotropic agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
WO-1986007537-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES SCHERING CORPORATION (US) 1986-12-31 WO disclosed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP disclosed