SCHEMBL7475231

SCHEMBL7475231

Cc1cc(C)cc(Nc2nccc(-c3cccs3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.66
SRC P12931 9/20 0.66
ZAP70 P43403 9/20 0.66
CDK2 P24941 5/20 0.61
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CDK4 P11802 1/20 0.52
GSK3B P49841 1/20 0.52
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 3/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
PIK3CA P42336 1/20 0.47

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
SCHEMBL7470877 0.90 CDK2 (0.70) SYKSRCZAP70CDK2CYP1A2
SCHEMBL7471621 0.83 MEN1 (0.59) SYKCDK2CYP1A2CYP3A4CYP2C19
SCHEMBL7475248 0.80 PLK1 (0.58) SYKCDK2CYP1A2CYP3A4CYP2C19
SCHEMBL13924509 0.80 SYK (1.00) SYKSRCZAP70CDK2
SCHEMBL7466134 0.79 MEN1 (0.62) SYKSRCZAP70CDK2CYP1A2
SCHEMBL7469184 0.79 SYK (0.54) SYKSRCZAP70CDK2CYP1A2
SCHEMBL7471189 0.79 SYK (0.50) SYKSRCZAP70CDK2CYP1A2
SCHEMBL7468142 0.79 PIK3CG (0.67) SYKSRCZAP70CDK2CYP1A2
SCHEMBL13181310 0.78 ZAP70 (0.61) SYKSRCZAP70CDK2CDK4
SCHEMBL12423148 0.78 ZAP70 (0.61) SYKSRCZAP70CDK2CDK4

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