SCHEMBL30853380

SCHEMBL30853380

COC(=O)c1cc(C2COCN2)cc2cn(OC)nc12

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.30
▸ ATRIP Q8WXE1 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL30853366 0.90 ALDH1A1 (0.30) —
SCHEMBL29844186 0.69 SERPINE1 (0.36) —
SCHEMBL30853389 0.67 DGAT1 (0.33) —
SCHEMBL30853360 0.66 TLR8 (0.41) —
SCHEMBL29168359 0.65 AXL (0.31) KDM4E
SCHEMBL29163102 0.61 NPC1 (0.37) KDM4E
SCHEMBL30437637 0.61 NPC1 (0.37) KDM4E
SCHEMBL30438125 0.59 MEN1 (0.32) KDM4E
SCHEMBL29154699 0.58 SMN1; SMN2 (0.34) KDM4E
SCHEMBL26664268 0.57 L3MBTL1 (0.38) —

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-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 — — CN disclosed
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