SCHEMBL7435

SCHEMBL7435

NCCc1cc2cccc(Cl)c2nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.49
HTR2A P28223 1/20 0.41
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.38
MAOB P27338 2/20 0.37
PNMT P11086 3/20 0.36
NR4A2 P43354 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
PDE10A Q9Y233 1/20 0.34
RECQL P46063 1/20 0.34
PIK3CD O00329 1/20 0.34
DPP4 P27487 1/20 0.33

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
SCHEMBL4437045 0.83 L3MBTL1 (0.40) DRD4DRD3L3MBTL1KMT2ANR4A2
SCHEMBL1886805 0.79 KMT2A (0.46) DRD4DRD3L3MBTL1KMT2ANR4A2
SCHEMBL14047560 0.79 DRD4 (0.44) DRD4DRD3L3MBTL1KMT2ANR4A2
SCHEMBL4433320 0.77 PIK3CD (0.43) TAAR1MAOBPIK3CDDPP4
SCHEMBL16585320 0.76 PIK3CD (0.47) TAAR1L3MBTL1KMT2ALMNAPIK3CD
SCHEMBL8614 0.75 DRD4 (0.45) TAAR1DRD4DRD3L3MBTL1CYP1A2
SCHEMBL4441908 0.73 PIK3CD (0.45) TAAR1L3MBTL1PIK3CDDPP4
SCHEMBL5472 0.73 KMT2A (0.36) TAAR1HTR2ADRD4DRD3L3MBTL1
SCHEMBL4178087 0.73 DPP4 (0.51) PNMTPIK3CDDPP4
SCHEMBL4433755 0.73 LMNA (0.44) L3MBTL1KMT2ALMNAPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499126-A1 FUSED BICYCLIC PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 EP disclosed
EP-2499129-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 EP disclosed
WO-2011058112-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed
WO-2011058108-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed
WO-2011058113-A1 FUSED BICYCLIC PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed