SCHEMBL24310535

SCHEMBL24310535

Cc1ccccc1-c1nc(N[S+]([O-])c2cnn(C)c2)nc(Oc2ccc(C3CCCCN3C)cc2)c1C(F)(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 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
SCHEMBL24310092 0.88 MAP4K1 (0.31) —
SCHEMBL24310186 0.84 CTSC (0.35) PTK2
SCHEMBL24310103 0.84 HTR1A (0.33) PTK2
SCHEMBL29566882 0.84 HTR1A (0.33) PTK2
SCHEMBL24310776 0.81 CTSC (0.37) PTK2
SCHEMBL24309562 0.80 FLT4 (0.32) PTK2
SCHEMBL24309552 0.80 MAPK7 (0.32) PTK2
SCHEMBL24310531 0.79 CTSC (0.32) —
SCHEMBL24310516 0.79 TNK2 (0.31) —
SCHEMBL29566422 0.77 HTR1A (0.34) —

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-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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