SCHEMBL24309238

SCHEMBL24309238

Cc1cccc(C)c1-c1cc(Oc2cnc(N3CCN(C)CC3)c(F)c2)nc(NSc2cnn(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 11/20 0.36
▸ HRH4 Q9H3N8 3/20 0.32
▸ TNK2 Q07912 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ TTK P33981 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 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
SCHEMBL24310284 0.88 MAP4K1 (0.37) MAP4K1HRH4TNK2BRD4
SCHEMBL24309583 0.85 DYRK1A (0.35) MAP4K1HRH4TNK2EGLN1TTK
SCHEMBL24309240 0.84 ALDH1A1 (0.36) MAP4K1EGLN1BRD4JAK2JAK3
SCHEMBL29566640 0.84 ALDH1A1 (0.36) MAP4K1EGLN1BRD4JAK2JAK3
SCHEMBL24309872 0.83 CCNA2 (0.40) BRD4
SCHEMBL24309954 0.82 HTR1D (0.36) MAP4K1HRH4
SCHEMBL24310533 0.82 MAP4K1 (0.35) MAP4K1HRH4
SCHEMBL24309556 0.81 MAP4K1 (0.35) MAP4K1BRD4JAK2JAK3
SCHEMBL24310347 0.81 GPR39 (0.39) TNK2
SCHEMBL24309518 0.80 LMNA (0.39) MAP4K1BRD4JAK3

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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