SCHEMBL29698937

SCHEMBL29698937

CC[C@](C)(CO)Nc1ncc(C(F)(F)F)c(-c2c[nH]c3c(P(C)(C)=O)cccc23)n1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 17/20 0.59
▸ CCNK O75909 17/20 0.59
▸ CDK9 P50750 17/20 0.59
▸ CDK12 Q9NYV4 17/20 0.59
▸ CCNE1 P24864 15/20 0.59
▸ CDK2 P24941 15/20 0.59
▸ CDK7 P50613 10/20 0.59
▸ CCNH P51946 10/20 0.59
▸ MNAT1 P51948 7/20 0.52
▸ CYP2D6 P10635 1/20 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
SCHEMBL27197964 1.00 CCNT1 (0.59) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL27197966 1.00 CCNT1 (0.59) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588978 0.91 CCNT1 (0.62) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26739124 0.85 CCNK (0.58) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26627030 0.84 CCNT1 (0.46) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26627036 0.84 CCNT1 (0.46) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588277 0.84 CCNT1 (0.61) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588275 0.84 CCNT1 (0.62) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588273 0.84 CCNT1 (0.60) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26627187 0.84 CCNT1 (0.60) CCNT1CCNKCDK9CDK12CCNE1

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
CN-116745277-A Aromatic heterocyclic compound, pharmaceutical composition and application thereof 湃隆生物科技有限公司(香港) 2023-09-12 — — CN disclosed
WO-2022134642-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 — — WO disclosed
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