SCHEMBL17150762

SCHEMBL17150762

C[C@@H]1CCC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 13/20 0.76
▸ CDK2 P24941 13/20 0.76
▸ CCNK O75909 12/20 0.76
▸ CDK12 Q9NYV4 12/20 0.76
▸ CCNT1 O60563 10/20 0.76
▸ CDK9 P50750 10/20 0.76
▸ CCNH P51946 10/20 0.76
▸ MNAT1 P51948 9/20 0.76
▸ CCNE1 P24864 8/20 0.76
▸ CRBN Q96SW2 1/20 0.71
▸ JUN P05412 5/20 0.66
▸ MAPK8 P45983 5/20 0.66
▸ MAPK9 P45984 5/20 0.66
▸ MAPK10 P53779 3/20 0.66

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
SCHEMBL17150637 0.90 CDK7 (0.71) CDK7CDK2CCNKCDK12CCNT1
SCHEMBL23336374 0.90 CDK7 (0.71) CDK7CDK2CCNKCDK12CCNT1
SCHEMBL17150597 0.89 CDK7 (0.72) CDK7CDK2CCNKCDK12CCNT1
SCHEMBL17150431 0.88 CDK7 (0.71) CDK7CDK2CCNKCDK12CCNT1
SCHEMBL17141346 0.88 CDK2 (0.79) CDK7CDK2CCNKCDK12CCNT1
SCHEMBL19054827 0.88 CDK2 (0.70) CDK7CDK2CCNKCDK12CCNT1
Hydrochloric Acid SCHEMBL19024483 0.87 CDK7 (0.70) CDK7CDK2CCNKCDK12CCNT1
SCHEMBL24839800 0.86 CDK2 (1.00) CDK7CDK2CCNKCDK12CCNT1
SCHEMBL30204003 0.86 CDK2 (1.00) CDK7CDK2CCNKCDK12CCNT1
SCHEMBL24839452 0.86 CDK2 (1.00) CDK7CDK2CCNKCDK12CCNT1

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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