SCHEMBL21026791

SCHEMBL21026791

Cn1ccc2c(-c3nc(N[C@@H]4CCC[C@H](NC(=O)C5=CCC(C)(N)C=N5)C4)ncc3Cl)cccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.45
▸ CCNT1 O60563 9/20 0.39
▸ CDK9 P50750 9/20 0.39
▸ CCNH P51946 7/20 0.39
▸ MNAT1 P51948 6/20 0.39
▸ CCNK O75909 6/20 0.39
▸ CDK12 Q9NYV4 6/20 0.39
▸ SYK P43405 1/20 0.39
▸ CDK2 P24941 6/20 0.37
▸ CCNE1 P24864 5/20 0.37
▸ JUN P05412 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35

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
SCHEMBL19024464 0.83 CDK7 (0.48) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17150715 0.82 CDK7 (0.54) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17150726 0.79 CDK7 (0.45) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17150728 0.78 CDK7 (0.47) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20994619 0.77 CDK7 (0.44) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL21026790 0.76 CDK9 (0.51) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20994618 0.73 CDK7 (0.44) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17150743 0.73 CDK7 (0.72) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17696392 0.73 CDK7 (0.70) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20416064 0.73 CDK7 (0.42) CDK7CCNT1CDK9CCNHMNAT1

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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