SCHEMBL24310284

SCHEMBL24310284

Cc1cccc(C)c1-c1cc(Oc2cnc(N3CCN(C)CC3)nc2)nc(NSc2cnn(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.37
▸ FURIN P09958 4/20 0.34
▸ TNKS O95271 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.33
▸ HTR1A P08908 2/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ HTR6 P50406 2/20 0.32
▸ KIT P10721 1/20 0.32
▸ HRH4 Q9H3N8 3/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ TNK2 Q07912 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
SCHEMBL24309238 0.88 MAP4K1 (0.36) MAP4K1HRH4BRD4TNK2
SCHEMBL24310533 0.85 MAP4K1 (0.35) MAP4K1HRH4
SCHEMBL24309954 0.85 HTR1D (0.36) MAP4K1DGAT2HTR1ADRD2HTR2A
SCHEMBL24309872 0.85 CCNA2 (0.40) BRD4
SCHEMBL24310347 0.85 GPR39 (0.39) TNK2
SCHEMBL24309553 0.83 MAP4K1 (0.31) MAP4K1
SCHEMBL24310751 0.83 MAP4K1 (0.34) MAP4K1HTR1ADRD2HTR2ATNK2
SCHEMBL24310172 0.82 MAP4K1 (0.36) MAP4K1KITBRD4
SCHEMBL29566772 0.82 DGAT2 (0.38) MAP4K1FURINTNKSDGAT2HTR1A
SCHEMBL26806460 0.82 DGAT2 (0.38) MAP4K1FURINTNKSDGAT2HTR1A

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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