SCHEMBL29583380

SCHEMBL29583380

CC1(C)C[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P(C)(C)=O)c(C#N)ccc34)n2)CN(Cc2ccccc2)C1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.70
▸ CCNH P51946 15/20 0.70
▸ CCNK O75909 12/20 0.70
▸ CDK12 Q9NYV4 12/20 0.70
▸ CCNT1 O60563 11/20 0.70
▸ CCNE1 P24864 11/20 0.70
▸ CDK2 P24941 11/20 0.70
▸ CDK9 P50750 11/20 0.70
▸ MNAT1 P51948 11/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ MAP2K5 Q13163 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
SCHEMBL22076295 1.00 CDK7 (0.70) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL22076293 1.00 CDK7 (0.70) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL29584896 0.90 CCNK (0.55) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL22076266 0.90 CCNK (0.55) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL22076267 0.90 CCNK (0.55) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL24145953 0.87 CCNK (0.71) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL22076290 0.83 CCNK (1.00) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL22076288 0.83 CCNK (1.00) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL24308297 0.82 CCNK (0.68) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL29492527 0.82 CDK7 (0.80) CDK7CCNHCCNKCDK12CCNT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229038-A1 DOSING REGIMENS FOR CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS Syros Pharmaceuticals, Inc. (US) 2023-08-23 — — EP disclosed
WO-2022082056-A1 DOSING REGIMENS FOR CYCLIN‑DEPENDENT KINASE 7 (CDK7) INHIBITORS SYROS PHARMACEUTICALS, INC. (US) 2022-04-21 — — WO disclosed
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