SCHEMBL21026872

SCHEMBL21026872

Clc1cnc(NC2CCCC(CN3CCNCC3)C2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 12/20 0.66
▸ CCNK O75909 9/20 0.66
▸ CDK12 Q9NYV4 9/20 0.66
▸ CDK7 P50613 9/20 0.66
▸ CCNT1 O60563 7/20 0.66
▸ CDK9 P50750 7/20 0.66
▸ CCNH P51946 6/20 0.66
▸ CCNE1 P24864 5/20 0.66
▸ CRBN Q96SW2 1/20 0.66
▸ MNAT1 P51948 5/20 0.62
▸ MAPK8 P45983 9/20 0.59
▸ MAPK9 P45984 9/20 0.59
▸ JUN P05412 8/20 0.59
▸ MAPK10 P53779 8/20 0.59

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
SCHEMBL17150700 1.00 CDK2 (0.66) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL21027476 1.00 CDK2 (0.66) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL17150608 1.00 CDK2 (0.66) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL19054697 0.91 CDK2 (0.72) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL19054696 0.91 CDK2 (0.72) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL17150695 0.87 CCNT1 (0.61) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL19024530 0.87 CCNT1 (0.61) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL19054689 0.87 CCNT1 (0.61) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL17141333 0.86 CDK2 (0.68) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL19024524 0.86 CDK7 (0.67) CDK2CCNKCDK12CDK7CCNT1

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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