SCHEMBL29691341

SCHEMBL29691341

C[C@@H](NC(=O)c1cc(C2=CCNCC2)cc2cn[nH]c12)c1cccc(C(F)F)c1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 10/20 0.45
▸ ROCK2 O75116 4/20 0.35
▸ ROCK1 Q13464 4/20 0.35
▸ ADORA2A P29274 1/20 0.33
▸ FTO Q9C0B1 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32

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
SCHEMBL24597173 1.00 SOS1 (0.45) SOS1ROCK2ROCK1ADORA2AFTO
Hydrochloric Acid SCHEMBL29691278 0.99 SOS1 (0.46) SOS1ROCK2ROCK1ADORA2AFTO
SCHEMBL29691267 0.85 SOS1 (0.45) SOS1ROCK2ROCK1ADORA2A
SCHEMBL24597142 0.85 SOS1 (0.45) SOS1ROCK2ROCK1ADORA2A
SCHEMBL24597166 0.85 SOS1 (0.45) SOS1ROCK2ROCK1FTOCTSL
SCHEMBL24597107 0.85 SOS1 (0.43) SOS1ROCK2ROCK1FTOCTSL
SCHEMBL29691318 0.85 SOS1 (0.45) SOS1ROCK2ROCK1FTOCTSL
SCHEMBL29691265 0.85 SOS1 (0.43) SOS1ROCK2ROCK1FTOCTSL
SCHEMBL24597101 0.84 SOS1 (0.49) SOS1
SCHEMBL29691330 0.84 SOS1 (0.49) SOS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4271374-A1 SOS1 INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2023-11-08 — — EP disclosed
CN-116916914-A SOS1 inhibitors and uses thereof 锐新医药公司 2023-10-20 — — CN disclosed
WO-2022146698-A1 SOS1 INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-07-07 — — WO disclosed
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