SCHEMBL29945876

SCHEMBL29945876

Cc1c(C#N)cc(F)cc1[C@@H](C)N

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 7/20 0.36
PDE2A O00408 1/20 0.32
ALK Q9UM73 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
CYP11B1 P15538 3/20 0.30
CYP11B2 P19099 3/20 0.30
AR P10275 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 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
SCHEMBL23526345 1.00 SOS1 (0.36) SOS1PDE2AALKTRPV4CYP11B1
SCHEMBL23526343 1.00 SOS1 (0.36) SOS1PDE2AALKTRPV4CYP11B1
Hydrochloric Acid SCHEMBL30594974 0.98 SOS1 (0.36) SOS1PDE2AALKTRPV4
Hydrochloric Acid SCHEMBL29125254 0.98 SOS1 (0.36) SOS1PDE2AALKTRPV4
Hydrochloric Acid SCHEMBL29125255 0.98 SOS1 (0.36) SOS1PDE2AALKTRPV4
SCHEMBL23564026 0.87 SOS1 (0.35) SOS1ALKTRPV4CYP11B1CYP11B2
SCHEMBL25839061 0.85 SOS1 (0.38) SOS1ALKTRPV4CYP11B1CYP11B2
SCHEMBL23526352 0.84 SOS1 (0.35) SOS1PDE2AALKTRPV4CYP11B1
SCHEMBL29945727 0.84 SOS1 (0.35) SOS1PDE2AALKTRPV4CYP11B1
SCHEMBL23526350 0.84 SOS1 (0.35) SOS1PDE2AALKTRPV4CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119546304-A Salts of SOS1 inhibitors 米拉蒂治疗公司 2025-02-28 CN disclosed
CN-119462626-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2025-02-18 CN disclosed
CN-115135315-B SOS1 inhibitors 米拉蒂治疗股份有限公司 2024-11-26 CN disclosed
CN-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed