SCHEMBL31194341

SCHEMBL31194341

CCSc1cc(-c2cnn(C3CC3)c2)cnc1-c1nc2cc(C(F)(F)C(F)(F)F)nnc2n1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 12/20 0.36
▸ FLT3 P36888 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ MAP4K3 Q8IVH8 3/20 0.31
▸ KHK P50053 1/20 0.31
▸ GRK5 P34947 1/20 0.31
▸ WNT1 P04628 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ PDPK1 O15530 1/20 0.31

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
SCHEMBL31194349 0.88 MET (0.34) METFLT3EGFRMAP4K3KHK
SCHEMBL25886953 0.85 — —
SCHEMBL25886945 0.83 — —
SCHEMBL31194303 0.81 GAA (0.33) —
SCHEMBL25886946 0.80 — —
SCHEMBL31003477 0.80 — —
SCHEMBL31194284 0.79 — —
SCHEMBL17696227 0.75 ALDH1A1 (0.35) —
SCHEMBL17688765 0.75 KDM4E (0.34) —
SCHEMBL17695958 0.74 POLB (0.33) —

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-2024175557-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYL-SULFOXIME-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2024-08-29 — — WO disclosed
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