SCHEMBL24583183

SCHEMBL24583183

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(C3CCOC3)ccc12

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 20/20 0.68
▸ CDK12 Q9NYV4 20/20 0.68
▸ CCNT1 O60563 17/20 0.68
▸ CDK9 P50750 17/20 0.68
▸ CCNE1 P24864 16/20 0.68
▸ CDK2 P24941 16/20 0.68
▸ CDK7 P50613 9/20 0.66
▸ CCNH P51946 9/20 0.66
▸ MNAT1 P51948 6/20 0.63

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
Formic Acid SCHEMBL26628934 0.96 CCNK (0.64) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24583196 0.95 CCNK (0.70) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26628943 0.95 CCNK (0.70) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29283731 0.91 CCNK (0.75) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29283735 0.91 CCNK (0.75) CCNKCDK12CCNT1CDK9CCNE1
Formic Acid SCHEMBL30549102 0.91 CCNK (0.65) CCNKCDK12CCNT1CDK9CCNE1
Formic Acid SCHEMBL26628916 0.91 CCNK (0.65) CCNKCDK12CCNT1CDK9CCNE1
Formic Acid SCHEMBL26628926 0.91 CCNK (0.65) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24583272 0.89 CCNK (0.65) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26628917 0.86 CCNK (0.69) CCNKCDK12CCNT1CDK9CCNE1

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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