SCHEMBL3431712

SCHEMBL3431712

Cc1cccc(CC(=O)Nc2cc[nH]n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
CACNA1G O43497 2/20 0.55
CACNA1H O95180 2/20 0.55
CACNA1I Q9P0X4 2/20 0.55
GLS O94925 2/20 0.50
MAPK8 P45983 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK9 P45984 1/20 0.49
CCNA2 P20248 2/20 0.49
CDK2 P24941 2/20 0.49
CCNA1 P78396 2/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL3421534 0.84 GLS (0.50) L3MBTL1GLSMAPK8MEN1KMT2A
SCHEMBL16126517 0.84 GLS (0.50) L3MBTL1GLSMAPK8MEN1KMT2A
SCHEMBL3421180 0.83 SMN1; SMN2 (0.57) L3MBTL1CACNA1GCACNA1HCACNA1IMEN1
SCHEMBL3418702 0.83 CDK2 (0.57) CACNA1GCACNA1IGLSMEN1KMT2A
SCHEMBL17402497 0.82 L3MBTL1 (0.58) L3MBTL1CACNA1GCACNA1HCACNA1IGLS
SCHEMBL22311486 0.80 WNT3A (0.49) L3MBTL1MAPK8CDK2PSEN1PSEN2
SCHEMBL3423175 0.78 CCNB2 (0.63) L3MBTL1MAPK8MEN1KMT2ACCNA2
SCHEMBL30519180 0.78 CCNE1 (0.56) L3MBTL1CDK2ALDH1A1MAPK10SMN1; SMN2
SCHEMBL5867604 0.78 CDK2 (0.78) CCNA2CDK2CCNA1
SCHEMBL1947883 0.76 ALDH1A1 (0.61) L3MBTL1CACNA1GCACNA1HCACNA1IGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO disclosed