SCHEMBL24310550

SCHEMBL24310550

Cc1cccc(C)c1-c1cc(Oc2ccc(C(=O)O)c(Cl)c2)nc(NSc2cnn(C)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAP4K1 Q92918 9/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ KDM4C Q9H3R0 3/20 0.31
▸ KDR P35968 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ HAO1 Q9UJM8 1/20 0.31
▸ MCL1 Q07820 1/20 0.30
▸ BAK1 Q16611 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
SCHEMBL24310788 0.88 P2RX7 (0.34) AURKAAURKBKDR
SCHEMBL24310126 0.88 AURKA (0.36) LMNAMAP4K1ENPP2AURKAAURKB
SCHEMBL24310347 0.84 GPR39 (0.39) LMNATDP1L3MBTL1AURKAAURKB
SCHEMBL29566982 0.84 ACLY (0.38) KDR
SCHEMBL24310549 0.84 ACLY (0.38) KDR
SCHEMBL24309954 0.83 HTR1D (0.36) MAP4K1
SCHEMBL24309350 0.83 HTR3A (0.33) —
SCHEMBL24310563 0.82 HPGD (0.31) —
SCHEMBL24310796 0.82 F10 (0.43) ENPP2NTRK1
SCHEMBL24310211 0.81 PTK2 (0.35) MAP4K1ENPP2

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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