SCHEMBL8514160

SCHEMBL8514160

COc1cccc(-c2cc(Nc3cccc(NS(C)(=O)=O)c3)ncn2)c1OC

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 13/20 0.84
CCNT1 O60563 10/20 0.84
MAP4K4 O95819 2/20 0.84
CDK1 P06493 2/20 0.84
CDK4 P11802 2/20 0.84
CCNB1 P14635 2/20 0.84
CCND1 P24385 2/20 0.84
ABL2 P42684 2/20 0.84
GSK3A P49840 2/20 0.84
CDK7 P50613 2/20 0.84
CCNH P51946 2/20 0.84
MNAT1 P51948 2/20 0.84
PTK2 Q05397 1/20 0.58
CCNA2 P20248 1/20 0.57
CDK2 P24941 1/20 0.57
CCNA1 P78396 1/20 0.57
CDK5 Q00535 1/20 0.57
CDK5R1 Q15078 1/20 0.57
CYP1A2 P05177 4/20 0.56
CYP2C19 P33261 4/20 0.56

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
SCHEMBL17022944 0.93 CDK9 (0.72) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL8516163 0.85 CDK9 (0.81) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL2023921 0.85 CDK9 (0.63) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL8515811 0.83 CDK9 (0.80) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL8516178 0.82 CDK9 (0.79) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4111486 0.82 CDK9 (0.83) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL8515971 0.82 CDK9 (0.79) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL22499624 0.82 CDK9 (1.00) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL2049143 0.82 CDK9 (0.57) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4427553 0.82 CDK9 (0.85) CDK9CCNT1MAP4K4CDK1CDK4

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-2137166-B1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2012-05-30 EP claimed