SCHEMBL31006776

SCHEMBL31006776

Clc1cnc(N[C@@H]2CCCNC2)nc1-c1c[nH]c2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 1.00
▸ CDK9 P50750 20/20 1.00
▸ CCNK O75909 18/20 1.00
▸ CDK12 Q9NYV4 18/20 1.00
▸ CCNE1 P24864 17/20 1.00
▸ CDK2 P24941 17/20 1.00
▸ CDK7 P50613 10/20 0.77
▸ CCNH P51946 9/20 0.77
▸ CRBN Q96SW2 1/20 0.77
▸ MNAT1 P51948 8/20 0.75

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
SCHEMBL24839793 1.00 CCNT1 (1.00) CCNT1CDK9CCNKCDK12CCNE1
Hydrochloric Acid SCHEMBL31006880 0.99 CCNT1 (0.98) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL25328954 0.94 CCNK (0.89) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL25328959 0.94 CCNK (0.89) CCNT1CDK9CCNKCDK12CCNE1
Hydrochloric Acid SCHEMBL31006785 0.93 CCNK (0.87) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL24839342 0.87 CCNT1 (1.00) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL20190945 0.87 CCNT1 (1.00) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL29613489 0.87 CCNT1 (1.00) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL20190942 0.87 CCNT1 (1.00) CCNT1CDK9CCNKCDK12CCNE1
SCHEMBL29749340 0.86 CCNT1 (0.78) CCNT1CDK9CCNKCDK12CCNE1

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
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
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