SCHEMBL29232474

SCHEMBL29232474

COc1cc(-n2nc3cc(N(C(=O)OC(C)(C)C)c4ccc5c(C#N)n(-c6ccnc(OC)c6)nc5c4)ccc3c2C#N)ccn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ CHRM1 P11229 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ MAT2A P31153 1/20 0.30

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
SCHEMBL23320403 0.84 LRRK2 (0.31) CHRM1LRRK2MAT2A
SCHEMBL23320405 0.82 LRRK2 (0.37) JAK2JAK1LRRK2
SCHEMBL30943209 0.76 MDM4 (0.36) JAK2JAK1MAT2A
SCHEMBL23320355 0.76 MDM4 (0.36) JAK2JAK1MAT2A
SCHEMBL28620742 0.71 MAT2A (0.32) CHRM1MAT2A
SCHEMBL23320377 0.70 NAMPT (0.45) —
SCHEMBL30943196 0.70 NAMPT (0.45) —
SCHEMBL28637402 0.67 ATR (0.39) —
SCHEMBL23320390 0.61 CNR1 (0.41) LRRK2
SCHEMBL22931772 0.60 LIPE (0.37) —

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-112654608-B Fused ring compound having urea structure 桑福德伯纳姆普利斯医学发现研究所 2024-05-07 — — CN disclosed
Send feedback