SCHEMBL12456445

SCHEMBL12456445

CCC(CC)c1cn(CC)c2cnc(N)nc12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.35
▸ CCNB1 P14635 2/20 0.35
▸ CCNE1 P24864 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ MAPKAPK2 P49137 1/20 0.31

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
SCHEMBL12457045 0.87 DHFR (0.36) CDK1CCNB1CCNE1CDK2MAPKAPK2
SCHEMBL12393901 0.84 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL10268684 0.78 CDK1 (0.38) CDK1CCNB1CCNE1CDK2MAPKAPK2
SCHEMBL12457199 0.73 CDK1 (0.35) CDK1CCNB1CCNE1CDK2
SCHEMBL27112701 0.70 SRC (0.35) —
SCHEMBL10212549 0.66 MAPKAPK2 (0.44) MAPKAPK2
SCHEMBL12393894 0.63 HRH4 (0.33) —
SCHEMBL20324023 0.62 CLK1 (0.45) CDK1CCNB1CCNE1CDK2
SCHEMBL24340238 0.62 DHFR (0.35) CDK1CCNB1CCNE1CDK2
SCHEMBL12473793 0.62 ADORA1 (0.50) —

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
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 — — US disclosed
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