SCHEMBL29610043

SCHEMBL29610043

Cc1cnc(Nc2ccc(C(C)NCc3ccccc3)cc2)nc1Nc1ccc2oc(=O)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.62
JAK3 P52333 20/20 0.62
JAK2 O60674 11/20 0.60
SYK P43405 1/20 0.59
CYP3A4 P08684 8/20 0.58
CYP1A2 P05177 2/20 0.57
TYK2 P29597 1/20 0.56

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
SCHEMBL339748 1.00 JAK1 (0.62) JAK1JAK3JAK2SYKCYP3A4
SCHEMBL341690 0.94 JAK1 (0.65) JAK1JAK3JAK2SYKCYP3A4
SCHEMBL29610018 0.94 JAK1 (0.65) JAK1JAK3JAK2SYKCYP3A4
SCHEMBL339846 0.86 JAK1 (0.78) JAK1JAK3JAK2SYKCYP3A4
SCHEMBL341556 0.85 JAK1 (0.69) JAK1JAK3JAK2SYKCYP3A4
SCHEMBL29609603 0.85 JAK1 (0.69) JAK1JAK3JAK2SYKCYP3A4
SCHEMBL342342 0.85 JAK1 (0.74) JAK1JAK3JAK2SYKCYP3A4
SCHEMBL15390535 0.84 JAK1 (0.63) JAK1JAK3JAK2SYKCYP3A4
SCHEMBL341375 0.83 JAK1 (0.82) JAK1JAK3JAK2SYKCYP3A4
SCHEMBL17201472 0.82 JAK1 (0.73) JAK1JAK3JAK2SYKCYP3A4

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