SCHEMBL24900503

SCHEMBL24900503

Fc1ccc2[nH]cc(-c3nc(Cl)ncc3C(F)(F)F)c2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 11/20 0.48
▸ CDK12 Q9NYV4 11/20 0.48
▸ CCNE1 P24864 10/20 0.48
▸ CDK2 P24941 10/20 0.48
▸ CCNT1 O60563 9/20 0.48
▸ CDK9 P50750 9/20 0.48
▸ MAP3K14 Q99558 2/20 0.45
▸ CDK7 P50613 8/20 0.43
▸ CCNH P51946 8/20 0.43
▸ MNAT1 P51948 7/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ TRPA1 O75762 2/20 0.40

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
SCHEMBL30957595 1.00 CCNK (0.48) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30957590 0.90 TDO2 (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24900493 0.90 TDO2 (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29993829 0.84 CDK7 (0.54) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL517413 0.84 CDK7 (0.54) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178391 0.81 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21184587 0.80 CCNK (0.42) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178668 0.80 CLK1 (0.50) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21629046 0.80 CCNK (0.44) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30554768 0.80 CCNK (0.44) CCNKCDK12CCNE1CDK2CCNT1

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-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 — — WO disclosed
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