SCHEMBL3424958

SCHEMBL3424958

O=C(Cc1cccc2ccccc12)Nc1cc[nH]n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.62
CDK2 P24941 1/20 0.62
CCNA1 P78396 1/20 0.62
NPY5R Q15761 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
PTGER4 P35408 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPK8 P45983 4/20 0.53
MAPK9 P45984 4/20 0.53
MAPK10 P53779 4/20 0.53
ATM Q13315 1/20 0.52
POLB P06746 2/20 0.52
GSK3B P49841 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51

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
SCHEMBL3424381 0.81 ELOVL1 (0.54) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL3424442 0.81 NPC1 (0.59) KMT2AMEN1MAPK8MAPK9
SCHEMBL14520097 0.78 MEN1 (0.66) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL6388806 0.78 CCNA2 (0.68) CCNA2CDK2CCNA1NPY5RKMT2A
SCHEMBL3418702 0.77 CDK2 (0.57) CCNA2CDK2CCNA1NPY5RKMT2A
SCHEMBL3782571 0.77 MAPK10 (0.72) MAPK8MAPK9MAPK10
SCHEMBL3422999 0.76 KMT2A (0.54) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3423175 0.76 CCNB2 (0.63) CCNA2CDK2CCNA1NPY5RKMT2A
SCHEMBL10079871 0.75 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL1947868 0.75 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1LMNAKDM4E

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 4 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