SCHEMBL24309562

SCHEMBL24309562

Cc1ccccc1-c1nc(N[S+]([O-])c2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2F)c1C(F)(F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FLT4 P35916 3/20 0.32
▸ PTK2 Q05397 3/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ MAPK7 Q13164 1/20 0.30
▸ INSR P06213 1/20 0.30
▸ NPM1 P06748 1/20 0.30
▸ ALK Q9UM73 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 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
SCHEMBL24309552 0.95 MAPK7 (0.32) FLT4PTK2PLK1MAPK7INSR
SCHEMBL24310092 0.90 MAP4K1 (0.31) —
SCHEMBL24309559 0.84 SCN9A (0.36) FLT4PTK2PLK1INSRALK
SCHEMBL29567274 0.84 SCN9A (0.36) FLT4PTK2PLK1INSRALK
SCHEMBL24310531 0.82 CTSC (0.32) —
SCHEMBL24310776 0.81 CTSC (0.37) PTK2
SCHEMBL24310186 0.80 CTSC (0.35) PTK2ALK
SCHEMBL24310535 0.80 PTK2 (0.31) PTK2
SCHEMBL24309548 0.80 SCN9A (0.34) FLT4PTK2PLK1MAPK7ALK
SCHEMBL29566769 0.80 SCN9A (0.34) FLT4PTK2PLK1MAPK7ALK

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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