SCHEMBL31403652

SCHEMBL31403652

O=[N+]([O-])c1cnc2[nH]ccc2c1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.47
JAK3 P52333 15/20 0.47
JAK1 P23458 10/20 0.47
TYK2 P29597 3/20 0.47
ALDH1A1 P00352 1/20 0.43
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
AURKA O14965 1/20 0.36
PRKCA P17252 1/20 0.36
KDR P35968 1/20 0.36
AXL P30530 1/20 0.36
PRKCI P41743 1/20 0.36

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
SCHEMBL29486783 0.76 PRKCI (0.54) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL30213789 0.76 PRKCI (0.46) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL17495401 0.76 PRKCI (0.46) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL1935167 0.76 PRKCI (0.54) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL22941677 0.76 JAK2 (0.43) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL9989736 0.75 JAK2 (0.55) JAK2JAK3JAK1TYK2CDK2
SCHEMBL17963822 0.72 JAK2 (0.54) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL15422239 0.72 JAK2 (0.41) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL14795009 0.72 JAK2 (0.43) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL15422006 0.71 IKBKB (0.41) JAK2JAK3JAK1TYK2ALDH1A1

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-2025076284-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed