SCHEMBL24309897

SCHEMBL24309897

Cc1ccccc1-c1nc(NSc2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2)c1OC(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ MAP4K1 Q92918 2/20 0.32
▸ MAP4K3 Q8IVH8 1/20 0.32
▸ ALK Q9UM73 2/20 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
SCHEMBL24309392 0.88 BRD4 (0.37) IGF1RMAP4K1
SCHEMBL24309929 0.88 MAP4K1 (0.33) IGF1RMAP4K1MAP4K3
SCHEMBL24310733 0.88 IGF1R (0.34) IGF1RMAP4K1MAP4K3
SCHEMBL24309840 0.87 MAP4K1 (0.32) IGF1RMAP4K1MAP4K3
SCHEMBL24309769 0.86 MAP4K1 (0.32) IGF1RMAP4K1MAP4K3
SCHEMBL24309869 0.86 CHEK1 (0.33) IGF1RMAP4K1MAP4K3
SCHEMBL24310201 0.86 MAP4K1 (0.32) IGF1RMAP4K1MAP4K3
SCHEMBL24309894 0.84 HTR1A (0.35) ALK
SCHEMBL29567371 0.84 HTR1A (0.35) ALK
SCHEMBL24310088 0.84 IGF1R (0.31) IGF1RMAP4K1MAP4K3

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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