SCHEMBL24310722

SCHEMBL24310722

Cc1ccccc1-c1nc(NSc2cnn(C)c2)nc(Oc2cccc(N3CCN(C)CC3)c2F)c1C(F)F

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.30
▸ MAP4K1 Q92918 1/20 0.30
▸ TNF P01375 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
SCHEMBL24310523 0.87 TACR1 (0.31) AXL
SCHEMBL24310734 0.87 — —
SCHEMBL24309719 0.86 MAP4K1 (0.37) MAP4K1
SCHEMBL24310712 0.85 AXL (0.33) AXL
SCHEMBL29566574 0.84 HTR1A (0.34) —
SCHEMBL26808972 0.84 HTR1A (0.34) —
SCHEMBL24310709 0.82 DRD2 (0.33) AXLMAP4K1
SCHEMBL24310404 0.81 TACR1 (0.33) AXL
SCHEMBL24309882 0.80 MAP4K1 (0.37) MAP4K1
SCHEMBL24310428 0.80 MAP4K1 (0.38) MAP4K1

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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