SCHEMBL29610786

SCHEMBL29610786

Cc1cnc(Nc2ccc(N3CCN(C)CC3)nc2)nc1Nc1ccc2c(c1)n(C)c(=O)n2C

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.66
JAK3 P52333 3/20 0.66
JAK2 O60674 1/20 0.66
CYP3A4 P08684 1/20 0.66
BRD4 O60885 15/20 0.53
CTSC P53634 1/20 0.52
EGFR P00533 1/20 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
SCHEMBL341837 1.00 JAK1 (0.66) JAK1JAK3JAK2CYP3A4BRD4
SCHEMBL340057 0.90 CTSC (0.54) JAK1JAK3JAK2CYP3A4BRD4
SCHEMBL29610461 0.90 CTSC (0.54) JAK1JAK3JAK2CYP3A4BRD4
SCHEMBL17060804 0.85 JAK1 (0.69) JAK1JAK3JAK2CYP3A4BRD4
SCHEMBL341215 0.85 JAK1 (0.72) JAK1JAK3JAK2CYP3A4BRD4
SCHEMBL29609910 0.85 JAK1 (0.72) JAK1JAK3JAK2CYP3A4BRD4
SCHEMBL29610195 0.82 JAK1 (0.75) JAK1JAK3JAK2CYP3A4BRD4
SCHEMBL341397 0.82 JAK1 (0.75) JAK1JAK3JAK2CYP3A4BRD4
SCHEMBL15391690 0.82 JAK2 (0.64) JAK1JAK3JAK2CYP3A4BRD4
SCHEMBL341129 0.81 JAK1 (0.68) JAK1JAK3JAK2CYP3A4BRD4

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