SCHEMBL29062267

SCHEMBL29062267

CC(C)(C)c1c[nH]c(OC(N)=O)n1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ RET P07949 1/20 0.31
▸ LTK P29376 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ CLK4 Q9HAZ1 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
SCHEMBL21719850 0.74 HSD17B10 (0.33) —
SCHEMBL23124173 0.69 HMGCR (0.31) —
SCHEMBL23123906 0.69 HMGCR (0.31) —
SCHEMBL28643764 0.69 HSD17B10 (0.42) AURKACSF1RRETLTKCSNK1A1
SCHEMBL12332375 0.67 GRN (0.38) —
SCHEMBL24375889 0.67 F2 (0.41) —
SCHEMBL22951323 0.66 PDE3B (0.31) —
SCHEMBL23124144 0.66 HCAR2 (0.33) CDK5
SCHEMBL8964856 0.66 ATAD2 (0.40) —
SCHEMBL28566083 0.66 KMT2A (0.40) —

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-110869360-B Phenylacetamides as ROCK inhibitors 百时美施贵宝公司 2023-12-15 — — CN disclosed
CN-111868063-B PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2023-08-01 — — CN disclosed
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