SCHEMBL25593172

SCHEMBL25593172

C=Cc1cnc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1-c1c[nH]c2c(F)cccc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.50
▸ CDK9 P50750 14/20 0.50
▸ CCNT1 O60563 13/20 0.50
▸ CCNK O75909 13/20 0.50
▸ CDK12 Q9NYV4 12/20 0.50
▸ CCNE1 P24864 6/20 0.50
▸ CDK7 P50613 11/20 0.49
▸ CCNH P51946 11/20 0.49
▸ MNAT1 P51948 11/20 0.49
▸ JUN P05412 4/20 0.48
▸ MAPK8 P45983 4/20 0.48
▸ MAPK9 P45984 4/20 0.48
▸ MAPK10 P53779 3/20 0.48
▸ CCNA2 P20248 7/20 0.47
▸ CDK13 Q14004 6/20 0.47
▸ CDK3 Q00526 1/20 0.43

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
SCHEMBL25593182 0.90 CDK2 (0.63) CDK2CDK9CCNT1CCNKCDK12
SCHEMBL27121866 0.81 CCNK (0.63) CDK2CDK9CCNT1CCNKCDK12
SCHEMBL25593261 0.81 CCNK (0.63) CDK2CDK9CCNT1CCNKCDK12
SCHEMBL29492509 0.81 CCNK (0.63) CDK2CDK9CCNT1CCNKCDK12
SCHEMBL25582183 0.81 CCNK (0.54) CDK2CDK9CCNT1CCNKCDK12
SCHEMBL25598690 0.80 CDK2 (0.65) CDK2CDK9CCNT1CCNKCDK12
SCHEMBL30204470 0.80 CDK2 (0.65) CDK2CDK9CCNT1CCNKCDK12
SCHEMBL24588967 0.80 CCNK (0.67) CDK2CDK9CCNT1CCNKCDK12
SCHEMBL29492498 0.80 CCNK (0.57) CDK2CDK9CCNT1CCNKCDK12
SCHEMBL25593295 0.80 CCNK (0.64) CDK2CDK9CCNT1CCNKCDK12

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-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
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