SCHEMBL29610698

SCHEMBL29610698

Cc1cnc(Nc2cccc3c2OC(F)(F)O3)nc1Nc1ccc2oc(=O)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.61
JAK3 P52333 20/20 0.61
JAK2 O60674 12/20 0.61
CYP3A4 P08684 9/20 0.61
SYK P43405 1/20 0.60
CYP1A2 P05177 2/20 0.57
TYK2 P29597 1/20 0.57

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
SCHEMBL340479 1.00 JAK1 (0.61) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL341636 0.86 JAK1 (0.67) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL29610144 0.86 JAK1 (0.67) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL340632 0.83 JAK1 (0.68) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL29609773 0.83 JAK1 (0.68) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL339226 0.83 JAK1 (0.69) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL341719 0.83 JAK1 (0.69) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL340366 0.83 JAK1 (0.69) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL339445 0.82 JAK1 (0.71) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL29610342 0.82 JAK1 (0.73) JAK1JAK3JAK2CYP3A4SYK

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