SCHEMBL24310796

SCHEMBL24310796

CNC(=O)c1cccc(Oc2cc(-c3c(C)cccc3C)nc(NSc3cnn(C)c3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.43
▸ F2 P00734 2/20 0.43
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ FGFR1 P11362 2/20 0.37
▸ FGFR3 P22607 2/20 0.37
▸ PIK3CD O00329 1/20 0.35
▸ AXL P30530 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ NTRK1 P04629 2/20 0.34
▸ ULK1 O75385 2/20 0.34
▸ ADCY10 Q96PN6 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ LOX P28300 2/20 0.33
▸ LOXL2 Q9Y4K0 2/20 0.33
▸ ENPP2 Q13822 1/20 0.33

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
SCHEMBL24310792 0.91 F2 (0.38) F10F2NR1H2NR1H3FGFR1
SCHEMBL24310347 0.86 GPR39 (0.39) NTRK1
SCHEMBL24310126 0.85 AURKA (0.36) F10F2LOXL2ENPP2
SCHEMBL29567200 0.83 F10 (0.43) F10F2NR1H2NR1H3FGFR1
SCHEMBL24310795 0.83 F10 (0.43) F10F2NR1H2NR1H3FGFR1
SCHEMBL24309553 0.82 MAP4K1 (0.31) —
SCHEMBL24310550 0.82 LMNA (0.33) NTRK1ENPP2
SCHEMBL24310563 0.82 HPGD (0.31) F2
SCHEMBL24309565 0.81 PPARG (0.34) F10F2ENPP2PTK2
SCHEMBL24309575 0.80 NPC1 (0.33) —

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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