SCHEMBL21027469

SCHEMBL21027469

CC1(C)CCC[C@@H](Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 8/20 0.52
▸ CDK9 P50750 8/20 0.52
▸ CDK7 P50613 8/20 0.52
▸ CCNH P51946 6/20 0.52
▸ MNAT1 P51948 5/20 0.52
▸ CCNE1 P24864 5/20 0.49
▸ CDK2 P24941 5/20 0.49
▸ CCNK O75909 5/20 0.42
▸ CDK12 Q9NYV4 5/20 0.42
▸ HTR6 P50406 5/20 0.42
▸ EGFR P00533 5/20 0.42
▸ DRD2 P14416 3/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CRBN Q96SW2 1/20 0.40

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
SCHEMBL19024518 0.92 CDK7 (0.51) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL20536159 0.92 CDK7 (0.51) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL17688395 0.92 CDK7 (0.51) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL17150473 0.92 CDK7 (0.51) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL17150411 0.90 CDK7 (0.51) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16665199 0.88 CDK7 (0.58) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL20994616 0.86 CDK7 (0.46) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL19024485 0.86 CDK7 (0.46) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL19024551 0.86 CDK7 (0.46) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16655188 0.86 CDK7 (0.46) CCNT1CDK9CDK7CCNHMNAT1

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-3489232-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2019-05-29 — — EP disclosed
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