SCHEMBL21026860

SCHEMBL21026860

NC1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 11/20 0.72
▸ CDK12 Q9NYV4 11/20 0.72
▸ CDK7 P50613 10/20 0.72
▸ CCNH P51946 9/20 0.72
▸ MNAT1 P51948 8/20 0.72
▸ CDK2 P24941 14/20 0.70
▸ CCNT1 O60563 9/20 0.70
▸ CDK9 P50750 9/20 0.70
▸ CCNE1 P24864 7/20 0.70
▸ CRBN Q96SW2 1/20 0.70
▸ MAPK8 P45983 8/20 0.65
▸ MAPK9 P45984 8/20 0.65
▸ JUN P05412 7/20 0.65
▸ MAPK10 P53779 6/20 0.65

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
SCHEMBL18074062 0.94 CDK7 (0.69) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL16665609 0.94 CDK7 (0.69) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL17141346 0.89 CDK2 (0.79) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL29994490 0.88 CDK2 (0.78) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL6039764 0.88 CDK2 (0.78) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL17150431 0.88 CDK7 (0.71) CCNKCDK12CDK7CCNHMNAT1
Hydrochloric Acid SCHEMBL17141264 0.87 CDK2 (0.76) CCNKCDK12CDK7CCNHMNAT1
Hydrochloric Acid SCHEMBL19024483 0.87 CDK7 (0.70) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL16665767 0.87 CDK2 (0.64) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL19054618 0.86 CDK2 (0.72) CCNKCDK12CDK7CCNHMNAT1

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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