SCHEMBL24310179

SCHEMBL24310179

Cc1ccccc1Oc1nc(NSc2cnn(C)c2)nc(-c2ccccc2C)c1Br

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.31
▸ CDK19 Q9BWU1 1/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 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
SCHEMBL24309830 0.90 IGF1R (0.32) IGF1RJAK2JAK1
SCHEMBL24309901 0.88 IGF1R (0.33) IGF1RJAK2JAK1
SCHEMBL24309917 0.88 MAPK14 (0.33) IGF1RJAK2JAK1
SCHEMBL24310590 0.87 IGF1R (0.31) IGF1RJAK2JAK1
SCHEMBL24309378 0.87 IGF1R (0.30) IGF1R
SCHEMBL24310383 0.87 KDM5A (0.32) IGF1R
SCHEMBL24310417 0.86 LMNA (0.33) IGF1R
SCHEMBL24309438 0.86 GABRG2 (0.30) IGF1R
SCHEMBL24310085 0.85 CDK1 (0.30) —
SCHEMBL24310807 0.85 PTGS2 (0.30) —

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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