SCHEMBL24418649

SCHEMBL24418649

C/C=C(\CC)c1cc(NC2CCCC2)n2ncc(Cl)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 4/20 0.46
▸ CDK9 P50750 4/20 0.46
▸ CDK2 P24941 4/20 0.43
▸ CDK4 P11802 3/20 0.43
▸ CCND1 P24385 3/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ CCNA2 P20248 2/20 0.43
▸ CCNE1 P24864 2/20 0.43
▸ CDK7 P50613 2/20 0.43
▸ CCNH P51946 2/20 0.43
▸ CCNA1 P78396 2/20 0.43
▸ CDK3 Q00526 2/20 0.43
▸ CDK6 Q00534 2/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ CDK5R1 Q15078 2/20 0.43
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ CSNK2B P67870 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ MEN1 O00255 3/20 0.41

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
SCHEMBL24418662 0.88 CDK9 (0.51) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL24418615 0.86 CDK9 (0.64) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL24418616 0.84 CCNT1 (0.47) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL29558303 0.83 CDK9 (0.46) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL29558307 0.80 CDK9 (0.43) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL24174228 0.79 CDK2 (0.50) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL29558377 0.79 CCNT1 (0.43) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL24418853 0.79 CDK9 (0.55) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26873523 0.73 CCNT1 (0.45) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL21946102 0.73 CSNK2B (0.52) CCNT1CDK9CDK2CDK4CCND1

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
WO-2022098843-A1 COMPOUNDS AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2022-05-12 — — WO disclosed
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