SCHEMBL7470877

SCHEMBL7470877

Cc1cccc(Nc2nccc(-c3cccs3)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.70
SYK P43405 5/20 0.70
SRC P12931 3/20 0.70
ZAP70 P43403 3/20 0.70
PIK3CA P42336 2/20 0.60
PIK3CG P48736 2/20 0.60
ABL1 P00519 1/20 0.60
BCR P11274 1/20 0.60
PIK3CB P42338 1/20 0.57
CDK1 P06493 2/20 0.55
CCNB2 O95067 1/20 0.55
RET P07949 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
DYRK1A Q13627 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52

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
SCHEMBL7475231 0.90 SYK (0.66) CDK2SYKSRCZAP70PIK3CA
SCHEMBL7473582 0.84 CDK2 (0.65) CDK2SYKSRCZAP70PIK3CA
SCHEMBL7471189 0.84 SYK (0.50) CDK2SYKSRCZAP70PIK3CA
SCHEMBL7468142 0.84 PIK3CG (0.67) CDK2SYKSRCZAP70PIK3CA
SCHEMBL7471621 0.84 MEN1 (0.59) CDK2SYKABL1CDK1CCNB2
SCHEMBL12423706 0.82 PIK3CG (0.68) CDK2SYKSRCZAP70PIK3CA
SCHEMBL13924432 0.82 SYK (1.00) CDK2SYKSRCZAP70PIK3CA
SCHEMBL12423167 0.81 PIK3CG (0.66) CDK2SYKSRCZAP70PIK3CA
SCHEMBL2198846 0.81 CDK2 (0.61) CDK2SYKSRCZAP70PIK3CA
SCHEMBL12509736 0.81 CDK2 (0.55) CDK2SYKSRCZAP70PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed
EP-0233461-B1 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1996-03-20 EP disclosed