SCHEMBL24310802

SCHEMBL24310802

CCCc1c(Oc2ccc(C3CCN(C)CC3)cc2)nc(N[S+]([O-])c2cnn(C)c2)nc1-c1ccccc1C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.31
▸ MAP4K1 Q92918 3/20 0.31
▸ MAP4K3 Q8IVH8 1/20 0.31
▸ TLR7 Q9NYK1 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
SCHEMBL24309785 0.90 MAP4K1 (0.33) IGF1RMAP4K1MAP4K3
SCHEMBL24309974 0.89 MAP4K1 (0.32) IGF1RMAP4K1MAP4K3
SCHEMBL24310092 0.85 MAP4K1 (0.31) MAP4K1MAP4K3
SCHEMBL29566967 0.84 HTR1A (0.35) IGF1RMAP4K1MAP4K3
SCHEMBL24309589 0.84 EGFR (0.34) IGF1RMAP4K1
SCHEMBL24310801 0.84 HTR1A (0.35) IGF1RMAP4K1MAP4K3
SCHEMBL26811478 0.78 HTR1A (0.36) MAP4K1MAP4K3
SCHEMBL24310071 0.78 LCK (0.35) IGF1R
SCHEMBL24309552 0.76 MAPK7 (0.32) —
SCHEMBL24309562 0.76 FLT4 (0.32) —

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
Send feedback