SCHEMBL24309552

SCHEMBL24309552

Cc1ccccc1-c1nc(N[S+]([O-])c2cnn(C)c2)nc(Oc2cc(C3CCN(C)CC3)ccc2F)c1C(F)(F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 1/20 0.32
▸ ALK Q9UM73 2/20 0.32
▸ INSR P06213 1/20 0.32
▸ NPM1 P06748 1/20 0.32
▸ FLT4 P35916 4/20 0.31
▸ PTK2 Q05397 4/20 0.31
▸ TNK2 Q07912 2/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ CCND3 P30281 1/20 0.30
▸ CDK6 Q00534 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
SCHEMBL24309562 0.95 FLT4 (0.32) MAPK7ALKINSRNPM1FLT4
SCHEMBL24310092 0.90 MAP4K1 (0.31) —
SCHEMBL24309548 0.84 SCN9A (0.34) MAPK7ALKFLT4PTK2TNK2
SCHEMBL29566769 0.84 SCN9A (0.34) MAPK7ALKFLT4PTK2TNK2
SCHEMBL24310531 0.82 CTSC (0.32) —
SCHEMBL24310776 0.81 CTSC (0.37) PTK2TNK2
SCHEMBL24310186 0.80 CTSC (0.35) ALKPTK2TNK2CCND3CDK6
SCHEMBL24310535 0.80 PTK2 (0.31) PTK2
SCHEMBL24309974 0.79 MAP4K1 (0.32) —
SCHEMBL24309785 0.79 MAP4K1 (0.33) TNK2

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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