SCHEMBL29844202

SCHEMBL29844202

COc1c(CN(C)C)cc(C(=O)N[C@H](C)c2cccc(C(F)(F)CO)c2)c2n[nH]cc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 7/20 0.38
▸ ROCK1 Q13464 12/20 0.38
▸ ROCK2 O75116 11/20 0.38
▸ KRAS P01116 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL27186150 1.00 SOS1 (0.38) SOS1ROCK1ROCK2KRASMEN1
SCHEMBL27186155 1.00 SOS1 (0.38) SOS1ROCK1ROCK2KRASMEN1
SCHEMBL29843929 0.82 ROCK1 (0.40) SOS1ROCK1ROCK2
SCHEMBL27187060 0.82 ROCK1 (0.40) SOS1ROCK1ROCK2
SCHEMBL27187054 0.82 ROCK1 (0.40) SOS1ROCK1ROCK2
SCHEMBL27186124 0.76 KRAS (0.35) SOS1ROCK1ROCK2KRASMEN1
SCHEMBL27186119 0.76 KRAS (0.35) SOS1ROCK1ROCK2KRASMEN1
SCHEMBL29844200 0.72 SOS1 (0.42) SOS1KRAS
SCHEMBL27186192 0.72 ALDH1A1 (0.34) MEN1LMNAPOLBHTTKMT2A
SCHEMBL27186224 0.72 ROCK1 (0.43) SOS1ROCK1ROCK2

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-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
WO-2022187266-A1 NOVEL SUBSTITUTED BICYCLI AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2022-09-09 — — WO disclosed
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