SCHEMBL9612043

SCHEMBL9612043

CCOc1ccccc1-c1cc(Nc2cccc(CS(=O)(=O)NI(C)C)c2)ncn1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 20/20 0.64
CDK9 P50750 20/20 0.64
MAP4K4 O95819 2/20 0.64
CDK1 P06493 2/20 0.64
CDK4 P11802 2/20 0.64
CCNB1 P14635 2/20 0.64
CCND1 P24385 2/20 0.64
ABL2 P42684 2/20 0.64
GSK3A P49840 2/20 0.64
CDK7 P50613 2/20 0.64
CCNH P51946 2/20 0.64
MNAT1 P51948 2/20 0.64
CCNA2 P20248 1/20 0.64
CDK2 P24941 1/20 0.64
CCNA1 P78396 1/20 0.64
CDK5 Q00535 1/20 0.64
CDK5R1 Q15078 1/20 0.64

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
SCHEMBL2997928 0.90 CCNT1 (0.67) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL8515402 0.88 CCNT1 (0.65) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL4429936 0.87 CCNT1 (0.64) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL4432386 0.87 CCNT1 (0.64) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL4430596 0.87 CCNT1 (0.83) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL4430053 0.85 CCNT1 (0.61) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL4430511 0.85 CCNT1 (0.66) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL4435845 0.84 CCNT1 (0.60) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL2025346 0.82 CCNT1 (0.63) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL4429887 0.82 CDK9 (0.79) CCNT1CDK9MAP4K4CDK1CDK4

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 disclosed