SCHEMBL7471678

SCHEMBL7471678

Cc1cccc(Nc2nccc(-c3ccccn3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.64
BCR P11274 2/20 0.64
PIK3CA P42336 2/20 0.64
PIK3CG P48736 2/20 0.64
PRKCA P17252 1/20 0.64
SYK P43405 13/20 0.63
CDK2 P24941 2/20 0.63
SRC P12931 1/20 0.63
ZAP70 P43403 1/20 0.63
CDK1 P06493 2/20 0.61
CCNB2 O95067 1/20 0.61
RET P07949 1/20 0.61
CCNB1 P14635 1/20 0.61
CCNB3 Q8WWL7 1/20 0.61
PIK3CB P42338 1/20 0.60
DYRK1A Q13627 1/20 0.57
SMG1 Q96Q15 1/20 0.53

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
SCHEMBL7464938 0.89 KDR (0.64) ABL1BCRPRKCASYKCDK2
SCHEMBL7465887 0.85 ABL1 (0.70) ABL1BCRPIK3CAPIK3CGPRKCA
SCHEMBL7470857 0.84 ABL1 (0.63) ABL1BCRPRKCASYKCDK2
SCHEMBL4903508 0.83 ABL1 (0.67) ABL1BCRPRKCASYKCDK2
SCHEMBL7469928 0.83 ABL1 (0.64) ABL1BCRPIK3CAPIK3CGPRKCA
SCHEMBL5734023 0.83 ABL1 (0.64) ABL1BCRPRKCASYKCDK2
SCHEMBL7461176 0.83 SYK (0.62) ABL1BCRPRKCASYK
SCHEMBL7468137 0.83 ABL1 (0.60) ABL1BCRPRKCASYKCDK2
SCHEMBL7466253 0.83 PIK3CG (0.71) ABL1BCRPIK3CAPIK3CGPRKCA
SCHEMBL2823600 0.82 KCNN1 (0.62) ABL1BCRPRKCASYK

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