SCHEMBL16665774

SCHEMBL16665774

COCN1CCC(Nc2ncc(Cl)c(-c3c[nH]cn3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 15/20 0.45
▸ CCNE1 P24864 5/20 0.45
▸ CCNT1 O60563 4/20 0.45
▸ CDK9 P50750 4/20 0.45
▸ CDK7 P50613 4/20 0.45
▸ CCNH P51946 4/20 0.45
▸ MNAT1 P51948 3/20 0.45
▸ CCNK O75909 3/20 0.45
▸ CDK12 Q9NYV4 3/20 0.45
▸ MAPK8 P45983 11/20 0.44
▸ MAPK9 P45984 11/20 0.44
▸ JUN P05412 10/20 0.44
▸ MAPK10 P53779 6/20 0.44
▸ CDK1 P06493 3/20 0.43
▸ CCNB2 O95067 2/20 0.43
▸ CCNE2 O96020 2/20 0.43
▸ CCNB1 P14635 2/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ CDK5R1 Q15078 2/20 0.43
▸ CCNB3 Q8WWL7 2/20 0.43

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
SCHEMBL30449686 0.80 CDK2 (0.67) CDK2CCNE1CCNT1CDK9CDK1
SCHEMBL22977514 0.80 CDK2 (0.67) CDK2CCNE1CCNT1CDK9CDK1
SCHEMBL16665659 0.79 IKBKB (0.45) CDK2CCNE1CCNT1CDK9CDK7
SCHEMBL16665600 0.78 MAPK8 (0.53) CDK2CCNE1CCNT1MAPK8MAPK9
SCHEMBL16655034 0.70 CCNK (0.67) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL16655035 0.70 CCNK (0.67) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL22977380 0.67 CCNE1 (0.60) CDK2CCNE1CCNT1CDK9CDK7
SCHEMBL23001306 0.67 CCNE1 (0.49) CDK2CCNE1CCNT1CDK9CDK7
SCHEMBL22997626 0.67 CDK2 (0.42) CDK2CCNE1CCNT1CDK9CDK7
SCHEMBL22997623 0.67 CDK2 (0.53) CDK2CCNE1CCNT1CDK9CDK7

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-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 — — WO disclosed
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