SCHEMBL24310124

SCHEMBL24310124

Cc1cccc(C)c1-c1cc(Oc2ccc(C(=O)NCCC(C)C)cc2)nc(NSc2cnn(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ PRMT5 O14744 2/20 0.35
▸ NAMPT P43490 2/20 0.34
▸ GCG P01275 4/20 0.34
▸ GCGR P47871 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ AURKA O14965 2/20 0.34
▸ AURKB Q96GD4 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGAV P06756 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
SCHEMBL24310126 0.86 AURKA (0.36) AURKAAURKBLMNA
SCHEMBL24310100 0.86 USP2 (0.39) BCHECNR2PRMT5NAMPTNPC1
SCHEMBL24309567 0.82 PTK2 (0.39) LMNA
SCHEMBL24310347 0.81 GPR39 (0.39) NPC1RAB9AAURKAAURKBLMNA
SCHEMBL24310563 0.81 HPGD (0.31) —
SCHEMBL24310796 0.80 F10 (0.43) —
SCHEMBL24310788 0.80 P2RX7 (0.34) AURKAAURKB
SCHEMBL24310557 0.80 DGAT2 (0.32) —
SCHEMBL24310142 0.79 GPR39 (0.30) —
SCHEMBL24309553 0.78 MAP4K1 (0.31) —

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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