SCHEMBL29610022

SCHEMBL29610022

Cc1cnc(Nc2cc(C)c(F)c(C)c2)nc1Nc1cc(C)c2oc(=O)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.68
JAK3 P52333 20/20 0.68
JAK2 O60674 12/20 0.68
CYP1A2 P05177 2/20 0.68
TYK2 P29597 1/20 0.68
CYP3A4 P08684 9/20 0.60
SYK P43405 1/20 0.52

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
SCHEMBL341271 1.00 JAK1 (0.68) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL339668 0.94 JAK1 (0.66) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL29610431 0.93 JAK1 (0.80) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL340864 0.93 JAK1 (0.80) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL341774 0.92 JAK1 (0.66) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL340971 0.91 JAK1 (0.64) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL29609899 0.91 JAK1 (0.64) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL340423 0.88 JAK1 (0.61) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL339570 0.87 JAK1 (0.88) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL29610513 0.87 JAK1 (0.77) JAK1JAK3JAK2CYP1A2TYK2

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
EP-4009974-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME Rigel Pharmaceuticals, Inc. (US) 2022-06-15 EP disclosed