SCHEMBL24309699

SCHEMBL24309699

CC(C)c1ccccc1-c1cc(Oc2cccc(N(C)C)c2)nc(NSc2cccc(N)c2)n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ GPR39 O43194 1/20 0.31
▸ APP P05067 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
SCHEMBL24310447 0.89 USP1 (0.33) GPR39
SCHEMBL26806627 0.82 CHEK1 (0.36) —
SCHEMBL24309696 0.77 HSP90AA1 (0.35) —
SCHEMBL24309257 0.77 USP1 (0.33) —
SCHEMBL24310509 0.77 CDK2 (0.32) —
SCHEMBL24309507 0.76 CYP1A2 (0.35) F10GPR39
SCHEMBL24298137 0.74 GPR39 (0.35) F10GPR39
SCHEMBL24310766 0.74 GPR39 (0.44) GPR39
SCHEMBL24310084 0.74 LMNA (0.36) —
SCHEMBL24310109 0.73 LMNA (0.38) —

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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