SCHEMBL31064002

SCHEMBL31064002

CC(C)c1cnn2c(NC3CCNCC3)cc(N[C@H]3CNC(=O)C3)nc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.47
▸ CDK7 P50613 8/20 0.47
▸ CCNE1 P24864 5/20 0.47
▸ CCNH P51946 5/20 0.47
▸ MNAT1 P51948 5/20 0.47
▸ CDK1 P06493 4/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ CDK9 P50750 7/20 0.44
▸ CDK4 P11802 2/20 0.44
▸ CDK6 Q00534 2/20 0.44
▸ CDK5 Q00535 2/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ CSNK2B P67870 1/20 0.42
▸ CCNT1 O60563 2/20 0.42
▸ CHEK1 O14757 1/20 0.40

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
SCHEMBL31064211 0.83 CDK9 (0.46) CDK2CDK7GSK3BCDK9CDK4
SCHEMBL31064236 0.83 CDK9 (0.46) CDK2CDK7GSK3BCDK9CDK4
SCHEMBL31064601 0.82 CDK2 (0.55) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL31064258 0.82 CDK2 (0.55) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL31064218 0.80 CDK7 (0.44) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL33377999 0.79 CSNK2B (0.60) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL20971708 0.78 CDK9 (0.49) CDK2CDK7CCNE1CCNHMNAT1
Hydrochloric Acid SCHEMBL20971701 0.77 CDK9 (0.49) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL31063937 0.77 CDK2 (0.46) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL31064232 0.76 CHEK1 (0.52) CDK2CDK7CCNE1CCNHMNAT1

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
WO-2024175024-A1 NEW FUSED HETEROCYCLIC COMPOUND AS CDKS INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2024-08-29 — — WO disclosed
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