SCHEMBL24309830

SCHEMBL24309830

Cc1ccccc1Oc1nc(NSc2cnn(C)c2)nc(-c2ccccc2C)c1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30
▸ MAP3K7 O43318 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ MAP2K1 Q02750 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
SCHEMBL24309862 0.91 TNK2 (0.32) IGF1RJAK2JAK1
SCHEMBL24309901 0.90 IGF1R (0.33) IGF1RJAK2JAK1MAP3K7MAPK1
SCHEMBL24309917 0.90 MAPK14 (0.33) IGF1RJAK2JAK1MAPK14
SCHEMBL24310179 0.90 IGF1R (0.31) IGF1RJAK2JAK1
SCHEMBL24310590 0.89 IGF1R (0.31) IGF1RJAK2JAK1
SCHEMBL24310383 0.88 KDM5A (0.32) IGF1R
SCHEMBL24309378 0.88 IGF1R (0.30) IGF1RALDH1A1L3MBTL1
SCHEMBL24309438 0.88 GABRG2 (0.30) IGF1R
SCHEMBL24310417 0.88 LMNA (0.33) IGF1R
SCHEMBL24310807 0.87 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
Send feedback