SCHEMBL24597166

SCHEMBL24597166

C[C@@H](NC(=O)c1cc(C2=CCNCC2)cc2nc[nH]c12)c1cccc(C(F)F)c1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 16/20 0.45
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 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
▸ KRAS P01116 5/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 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
SCHEMBL29691318 1.00 SOS1 (0.45) SOS1CCNT1CDK9FTOCTSL
SCHEMBL24597107 0.87 SOS1 (0.43) SOS1CCNT1CDK9FTOCTSL
SCHEMBL29691265 0.87 SOS1 (0.43) SOS1CCNT1CDK9FTOCTSL
SCHEMBL29691341 0.85 SOS1 (0.45) SOS1CCNT1CDK9FTOCTSL
SCHEMBL24597173 0.85 SOS1 (0.45) SOS1CCNT1CDK9FTOCTSL
Hydrochloric Acid SCHEMBL29691278 0.85 SOS1 (0.46) SOS1FTOCTSLCTSBCTSS
SCHEMBL24597167 0.83 SOS1 (0.45) SOS1KRAS
SCHEMBL24597158 0.81 SOS1 (0.43) SOS1CCNT1CDK9
SCHEMBL29691281 0.81 SOS1 (0.43) SOS1CCNT1CDK9
SCHEMBL24597164 0.80 SOS1 (0.44) SOS1FTOCTSLCTSBCTSS

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
WO-2022146698-A1 SOS1 INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-07-07 — — WO disclosed
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