SCHEMBL29613489

SCHEMBL29613489

Clc1cnc(N[C@@H]2CCCNC2)nc1-c1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 15/20 1.00
▸ CCNK O75909 15/20 1.00
▸ CDK9 P50750 15/20 1.00
▸ CDK12 Q9NYV4 15/20 1.00
▸ CCNE1 P24864 14/20 1.00
▸ CDK2 P24941 14/20 1.00
▸ CDK7 P50613 13/20 1.00
▸ CCNH P51946 12/20 1.00
▸ CRBN Q96SW2 1/20 1.00
▸ MNAT1 P51948 11/20 0.79

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
SCHEMBL24839342 1.00 CCNT1 (1.00) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL20190942 1.00 CCNT1 (1.00) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL20190945 1.00 CCNT1 (1.00) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL17150537 0.94 CCNK (0.89) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25328316 0.94 CCNK (0.89) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29596542 0.94 CCNK (0.89) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30523927 0.94 CCNK (0.89) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25329765 0.90 CDK2 (0.83) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL17141346 0.89 CDK2 (0.79) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24839797 0.88 CCNT1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118480029-A 2-Aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-08-13 — — CN disclosed
EP-4259133-A1 METHODS AND COMPOUNDS FOR MODULATING MYOTONIC DYSTROPHY 1 Design Therapeutics, Inc. (US) 2023-10-18 — — EP disclosed
WO-2022126000-A1 METHODS AND COMPOUNDS FOR MODULATING MYOTONIC DYSTROPHY 1 Design Therapeutics, Inc. (US) 2022-06-16 — — WO disclosed
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