SCHEMBL17151963

SCHEMBL17151963

O=C(Nc1ccc(CN[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 18/20 0.57
▸ CCNT1 O60563 13/20 0.57
▸ CDK9 P50750 13/20 0.57
▸ CCNH P51946 13/20 0.57
▸ CCNK O75909 10/20 0.57
▸ CDK12 Q9NYV4 10/20 0.57
▸ MNAT1 P51948 9/20 0.57
▸ CDK13 Q14004 7/20 0.56
▸ CDK2 P24941 9/20 0.55
▸ CCNA2 P20248 7/20 0.55
▸ RPS6KA3 P51812 1/20 0.55
▸ MAPK8 P45983 2/20 0.52
▸ MAPK9 P45984 2/20 0.52
▸ MAPK10 P53779 2/20 0.52
▸ JUN P05412 1/20 0.51
▸ CCNE1 P24864 1/20 0.50
▸ CRBN Q96SW2 1/20 0.50

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
SCHEMBL19024596 0.86 CDK7 (0.72) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL17151941 0.86 CDK7 (0.68) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL21026995 0.86 CDK7 (0.43) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL17150705 0.84 CDK7 (0.81) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL20764205 0.84 CDK7 (0.61) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL19024571 0.83 CDK7 (0.41) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL17151962 0.83 CDK7 (0.40) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL17150423 0.80 CDK7 (0.59) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL19024498 0.79 CDK7 (0.60) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL20416415 0.78 CDK7 (0.72) CDK7CCNT1CDK9CCNHCCNK

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
WO-2015154038-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 — — WO disclosed
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