SCHEMBL29168359

SCHEMBL29168359

COC(=O)c1cc(C2COCN2)c(OC)c2c[nH]nc12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ NR4A2 P43354 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
SCHEMBL29168454 0.90 PKM (0.31) KDM4E
SCHEMBL30853312 0.89 PARP1 (0.31) —
SCHEMBL27186177 0.80 PDK2 (0.36) KDM4EALDH1A1HPGDNPSR1NR4A2
SCHEMBL29168391 0.73 KRAS (0.33) —
SCHEMBL29168393 0.73 KRAS (0.33) —
SCHEMBL27186349 0.72 NR4A2 (0.40) KDM4EALDH1A1HPGDNPSR1NR4A2
SCHEMBL27186983 0.72 KDM4E (0.38) AXLKDM4EALDH1A1HPGDNPSR1
SCHEMBL27186283 0.70 PRKAB2 (0.35) KDM4EALDH1A1
SCHEMBL27186424 0.69 GCK (0.36) —
SCHEMBL27186192 0.68 ALDH1A1 (0.34) KDM4EALDH1A1HPGDNPSR1NR4A2

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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