SCHEMBL8287907

SCHEMBL8287907

O=c1cc(Nc2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c2nc(N3CCCCC3)c(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
CNR1 P21554 4/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE11A Q9HCR9 1/20 0.37

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
SCHEMBL8287909 0.87 MAPT (0.44) HPGDMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL8285126 0.83 PDE11A (0.36) EGFRHPGDKDM4EMEN1ALDH1A1
SCHEMBL8287169 0.82 PDE11A (0.47) HPGDKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL8285179 0.78 PDE11A (0.58) ADORA3ADORA2AHPGDKDM4EALDH1A1
SCHEMBL8287932 0.77 KDM4E (0.40) EGFRCNR1KDM4EALDH1A1MAPK1
SCHEMBL8287143 0.77 BTK (0.39) KDM4EMEN1ALDH1A1TSHRMAPK1
SCHEMBL8285115 0.76 BPTF (0.36) EGFRADORA3ADORA2AHPGDKDM4E
SCHEMBL8287937 0.74 DHODH (0.32) KDM4EALDH1A1NPSR1SMN1; SMN2MAPT
SCHEMBL8287122 0.73 PDE11A (0.44) ADORA2AHPGDKDM4EMEN1ALDH1A1
SCHEMBL8287906 0.73 L3MBTL1 (0.39) HPGDKDM4EMEN1ALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed