SCHEMBL29583583

SCHEMBL29583583

CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 20/20 1.00
▸ CCNH P51946 17/20 1.00
▸ CDK9 P50750 16/20 1.00
▸ CCNK O75909 15/20 1.00
▸ CDK12 Q9NYV4 15/20 1.00
▸ CCNT1 O60563 15/20 1.00
▸ MNAT1 P51948 11/20 1.00
▸ CDK2 P24941 11/20 0.77
▸ CDK13 Q14004 12/20 0.77
▸ CCNA2 P20248 10/20 0.77
▸ RPS6KA3 P51812 1/20 0.76
▸ CDK3 Q00526 1/20 0.69

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
SCHEMBL17151964 1.00 CDK7 (1.00) CDK7CCNHCDK9CCNKCDK12
SCHEMBL17151965 0.94 CDK7 (0.88) CDK7CCNHCDK9CCNKCDK12
SCHEMBL17151736 0.94 CDK7 (0.88) CDK7CCNHCDK9CCNKCDK12
SCHEMBL18069866 0.93 CDK7 (1.00) CDK7CCNHCDK9CCNKCDK12
SCHEMBL16665076 0.93 CDK7 (1.00) CDK7CCNHCDK9CCNKCDK12
SCHEMBL17150651 0.93 CDK7 (0.87) CDK7CCNHCDK9CCNKCDK12
SCHEMBL16665073 0.93 CDK7 (1.00) CDK7CCNHCDK9CCNKCDK12
SCHEMBL18047286 0.93 CDK7 (1.00) CDK7CCNHCDK9CCNKCDK12
SCHEMBL16665075 0.93 CDK7 (1.00) CDK7CCNHCDK9CCNKCDK12
SCHEMBL16665077 0.93 CDK7 (1.00) CDK7CCNHCDK9CCNKCDK12

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 3 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
EP-4051282-A1 METHODS OF TREATING CANCER IN BIOMARKER-IDENTIFIED PATIENTS WITH INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2022-09-07 — — 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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