SCHEMBL3423175

SCHEMBL3423175

O=C(Cc1ccc2ccccc2c1)Nc1cc[nH]n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.63
CCNE2 O96020 1/20 0.63
CDK1 P06493 1/20 0.63
CCNB1 P14635 1/20 0.63
CCNA2 P20248 1/20 0.63
CCNE1 P24864 1/20 0.63
CDK2 P24941 1/20 0.63
CCNA1 P78396 1/20 0.63
CDK5 Q00535 1/20 0.63
CDK5R1 Q15078 1/20 0.63
CCNB3 Q8WWL7 1/20 0.63
RIOK2 Q9BVS4 6/20 0.59
MAPK10 P53779 4/20 0.59
GSK3A P49840 3/20 0.59
MAPK8 P45983 2/20 0.58
HIPK1 Q86Z02 1/20 0.58
SNRK Q9NRH2 1/20 0.58
NPY5R Q15761 2/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54

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
SCHEMBL3418702 0.83 CDK2 (0.57) CCNA2CCNE1CDK2CCNA1CDK5
SCHEMBL3431712 0.78 L3MBTL1 (0.61) CCNA2CDK2CCNA1RIOK2MAPK10
SCHEMBL16126517 0.78 GLS (0.50) CDK1CCNA2CDK2CCNA1RIOK2
SCHEMBL3421534 0.78 GLS (0.50) CCNA2CDK2CCNA1MAPK8MEN1
SCHEMBL5867410 0.78 CDK2 (1.00) CCNB2CCNE2CDK1CCNB1CCNA2
SCHEMBL3424677 0.77 GAA (0.57) CCNA2CCNE1CDK2CCNA1MAPK8
SCHEMBL3421180 0.77 SMN1; SMN2 (0.57) MAPK10MEN1KMT2ANLRP3L3MBTL1
SCHEMBL2038480 0.76 L3MBTL1 (0.76) CCNA2CDK2RIOK2MAPK10GSK3A
SCHEMBL3419948 0.76 DEGS1 (0.57) MEN1KMT2AALDH1A1LMNA
SCHEMBL25225939 0.76 CDK2 (0.91) CCNB2CCNE2CDK1CCNB1CCNA2

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