SCHEMBL29610486

SCHEMBL29610486

Cc1cnc(Nc2cnc(N3CCN(C)CC3)c(C)c2)nc1Nc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.59
JAK3 P52333 3/20 0.59
JAK2 O60674 1/20 0.59
CYP3A4 P08684 1/20 0.59
EGFR P00533 1/20 0.56
BRD4 O60885 14/20 0.51
PDGFRB P09619 2/20 0.51
PDGFRA P16234 2/20 0.51

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
SCHEMBL340421 1.00 JAK1 (0.59) JAK1JAK3JAK2CYP3A4EGFR
SCHEMBL341397 0.88 JAK1 (0.75) JAK1JAK3JAK2CYP3A4EGFR
SCHEMBL29610195 0.88 JAK1 (0.75) JAK1JAK3JAK2CYP3A4EGFR
SCHEMBL340099 0.86 JAK1 (0.80) JAK1JAK3JAK2CYP3A4
SCHEMBL29609909 0.86 JAK1 (0.80) JAK1JAK3JAK2CYP3A4
SCHEMBL29610790 0.79 JAK1 (0.78) JAK1JAK3JAK2CYP3A4
SCHEMBL341081 0.79 JAK1 (0.78) JAK1JAK3JAK2CYP3A4
SCHEMBL340163 0.79 JAK1 (0.77) JAK1JAK3JAK2CYP3A4
SCHEMBL3102212 0.79 JAK1 (0.60) JAK1JAK3JAK2CYP3A4EGFR
SCHEMBL13268190 0.79 JAK1 (0.54) JAK1JAK3JAK2CYP3A4EGFR

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