SCHEMBL23336396

SCHEMBL23336396

N[C@H]1CCC[C@@H](Nc2ncc(C3CC3)c(-c3c[nH]c4ccccc34)n2)C1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.72
▸ CCNH P51946 11/20 0.72
▸ MNAT1 P51948 10/20 0.72
▸ CCNT1 O60563 11/20 0.55
▸ CCNK O75909 11/20 0.55
▸ CDK9 P50750 11/20 0.55
▸ CDK12 Q9NYV4 11/20 0.55
▸ CCNE1 P24864 9/20 0.55
▸ CDK2 P24941 9/20 0.55
▸ CRBN Q96SW2 1/20 0.55

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
SCHEMBL19040148 0.87 CDK7 (0.71) CDK7CCNHMNAT1CCNT1CCNK
SCHEMBL17150431 0.87 CDK7 (0.71) CDK7CCNHMNAT1CCNT1CCNK
Hydrochloric Acid SCHEMBL19024483 0.86 CDK7 (0.70) CDK7CCNHMNAT1CCNT1CCNK
SCHEMBL17150727 0.86 CDK7 (0.72) CDK7CCNHMNAT1CCNT1CCNK
SCHEMBL17150448 0.85 CCNK (0.73) CDK7CCNHMNAT1CCNT1CCNK
SCHEMBL17150599 0.85 CCNT1 (0.60) CDK7CCNHMNAT1CCNT1CCNK
SCHEMBL24839576 0.83 CDK7 (1.00) CDK7CCNHMNAT1CCNT1CCNK
SCHEMBL17688383 0.82 CDK7 (1.00) CDK7CCNHMNAT1CCNT1CCNK
SCHEMBL22778394 0.82 CDK7 (1.00) CDK7CCNHMNAT1CCNT1CCNK
Hydrochloric Acid SCHEMBL16655187 0.81 CDK7 (0.98) CDK7CCNHMNAT1CCNT1CCNK

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-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 — — EP disclosed
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