SCHEMBL24310417

SCHEMBL24310417

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.33
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ IGF1R P08069 1/20 0.30
▸ ADORA1 P30542 2/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ ADORA2A P29274 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
SCHEMBL24309830 0.88 IGF1R (0.32) IGF1R
SCHEMBL24309899 0.86 NPC1 (0.33) CYP1A2CYP2C19IGF1R
SCHEMBL24309901 0.86 IGF1R (0.33) IGF1R
SCHEMBL24309917 0.86 MAPK14 (0.33) IGF1R
SCHEMBL24310179 0.86 IGF1R (0.31) IGF1R
SCHEMBL24310590 0.85 IGF1R (0.31) IGF1R
SCHEMBL24309404 0.85 CNR1 (0.35) LMNACYP1A2CYP2C19ADORA1ADORA2B
SCHEMBL24310383 0.84 KDM5A (0.32) IGF1R
SCHEMBL24309378 0.84 IGF1R (0.30) IGF1R
SCHEMBL24309438 0.83 GABRG2 (0.30) IGF1R

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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