SCHEMBL17150599

SCHEMBL17150599

N#Cc1cnc(N[C@@H]2CCC[C@H](N)C2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 11/20 0.60
▸ CCNK O75909 11/20 0.60
▸ CDK9 P50750 11/20 0.60
▸ CDK12 Q9NYV4 11/20 0.60
▸ CCNE1 P24864 10/20 0.60
▸ CDK2 P24941 10/20 0.60
▸ CDK7 P50613 14/20 0.53
▸ CCNH P51946 10/20 0.53
▸ MNAT1 P51948 9/20 0.53
▸ CRBN Q96SW2 1/20 0.53

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
SCHEMBL21549428 0.88 CCNK (0.66) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL17150431 0.86 CDK7 (0.71) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL19040148 0.86 CDK7 (0.71) CCNT1CCNKCDK9CDK12CCNE1
Hydrochloric Acid SCHEMBL19024483 0.85 CDK7 (0.70) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL23336396 0.85 CDK7 (0.72) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL17150727 0.84 CDK7 (0.72) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24839845 0.84 CCNK (0.83) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30260822 0.83 CCNK (0.78) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL17150448 0.83 CCNK (0.73) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL22778395 0.83 CDK7 (0.79) CCNT1CCNKCDK9CDK12CCNE1

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-2015154039-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 — — WO disclosed
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