SCHEMBL30771950

SCHEMBL30771950

Cc1noc(C)c1-c1ccc2c(-c3nc(NC4CCCC4NCC(F)F)ncc3C(F)(F)F)c[nH]c2n1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.68
▸ CDK12 Q9NYV4 17/20 0.68
▸ CCNT1 O60563 16/20 0.68
▸ CCNE1 P24864 16/20 0.68
▸ CDK2 P24941 16/20 0.68
▸ CDK9 P50750 16/20 0.68
▸ CDK7 P50613 11/20 0.68
▸ CCNH P51946 11/20 0.68
▸ MNAT1 P51948 7/20 0.41

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
SCHEMBL30771958 1.00 CCNK (0.68) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184363 1.00 CCNK (0.68) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184362 0.92 CCNK (0.71) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184429 0.90 CCNK (0.69) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30771928 0.90 CCNK (0.69) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184428 0.90 CCNK (0.68) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30771930 0.90 CCNK (0.68) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184373 0.89 CCNK (0.71) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184329 0.88 CCNK (0.67) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30771947 0.88 CCNK (0.67) CCNKCDK12CCNT1CCNE1CDK2

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-3740206-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2024-03-06 — — EP disclosed
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