SCHEMBL24584483

SCHEMBL24584483

C[C@H]1COCCN1c1ccc2c(-c3nc(NC4CCC(C)(C)NC4)ncc3C(F)(F)F)cn(S(=O)(=O)c3ccccc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.49
▸ CCNH P51946 15/20 0.49
▸ CCNK O75909 12/20 0.49
▸ CDK12 Q9NYV4 12/20 0.49
▸ CCNT1 O60563 11/20 0.49
▸ CDK9 P50750 11/20 0.49
▸ CCNE1 P24864 10/20 0.49
▸ CDK2 P24941 10/20 0.49
▸ MNAT1 P51948 12/20 0.46
▸ CYP2D6 P10635 1/20 0.43
▸ ATR Q13535 1/20 0.37
▸ ATRIP Q8WXE1 1/20 0.37

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
SCHEMBL24584481 1.00 CDK7 (0.49) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL26627069 0.84 PRKCA (0.37) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL29083578 0.82 CCNK (0.61) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL24583188 0.82 CCNK (0.61) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL30626194 0.82 PRKCA (0.38) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL30626193 0.82 PRKCA (0.38) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL24588853 0.81 CDK7 (0.39) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL24584176 0.81 CDK7 (0.39) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL29749461 0.81 ATR (0.41) ATRATRIP
SCHEMBL24584411 0.81 ATR (0.41) ATRATRIP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4269402-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 — — EP disclosed
WO-2022134641-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 — — WO disclosed
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