SCHEMBL29168454

SCHEMBL29168454

COc1c(C2COCN2)cc(C(=O)O)c2n[nH]cc12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL30853312 0.90 PARP1 (0.31) —
SCHEMBL29168359 0.90 AXL (0.31) KDM4E
SCHEMBL27186283 0.80 PRKAB2 (0.35) PKMKDM4E
SCHEMBL29168393 0.72 KRAS (0.33) —
SCHEMBL29168391 0.72 KRAS (0.33) —
SCHEMBL27186991 0.72 HSD17B10 (0.50) KDM4E
SCHEMBL27186177 0.70 PDK2 (0.36) KDM4E
SCHEMBL27186394 0.67 ALDH1A1 (0.36) KDM4E
SCHEMBL27186153 0.65 ECE1 (0.40) KDM4E
SCHEMBL30853366 0.64 ALDH1A1 (0.30) —

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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