SCHEMBL8233261

SCHEMBL8233261

Cn1ncc(-c2ccnc(NC3CCCC3)n2)c1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.57
CDK1 P06493 7/20 0.57
CCNB1 P14635 6/20 0.57
CDK2 P24941 6/20 0.57
CCNA2 P20248 4/20 0.57
CCND1 P24385 3/20 0.57
CCNA1 P78396 3/20 0.57
GSK3B P49841 9/20 0.56
CCNB2 O95067 3/20 0.55
CCNB3 Q8WWL7 3/20 0.55
CCNE1 P24864 2/20 0.53
CCND3 P30281 2/20 0.53
CDK6 Q00534 2/20 0.53
PIK3C3 Q8NEB9 1/20 0.50
RET P07949 1/20 0.49
MAPK8 P45983 3/20 0.48
MAPK9 P45984 3/20 0.48
MAPK10 P53779 3/20 0.48
MAP2K7 O14733 1/20 0.48
IKBKB O14920 1/20 0.48

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
SCHEMBL5312695 0.90 MAPK8 (0.56) CDK4CDK1CCNB1CDK2CCNA2
SCHEMBL5312697 0.90 MAPK8 (0.56) CDK4CDK1CCNB1CDK2CCNA2
SCHEMBL8235871 0.84 CDK4 (0.58) CDK4CDK1CCNB1CDK2CCNA2
SCHEMBL8233530 0.82 CDK4 (0.57) CDK4CDK1CCNB1CDK2CCNA2
SCHEMBL23838253 0.81 PIK3C3 (0.59) CDK4CDK1CCNB1CDK2CCNA2
SCHEMBL18480113 0.81 PIK3C3 (0.61) CDK4CDK1CCNB1CDK2CCNA2
SCHEMBL23666435 0.80 PIK3C3 (0.58) CDK4CDK1CCNB1CDK2CCNA2
SCHEMBL20445324 0.80 CDK4 (0.53) CDK4CDK1CCNB1CDK2CCNA2
SCHEMBL23666440 0.80 CDK4 (0.53) CDK4CDK1CCNB1CDK2CCNA2
SCHEMBL8233932 0.79 CDK1 (0.56) CDK4CDK1CCNB1CDK2CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007129195-A2 4-PYRIMIDINE-5-AMINO-PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-15 WO disclosed