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SCHEMBL29610641

SCHEMBL29610641

COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C(=O)N2CCN(C)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 19/20 0.72
▸ JAK3 P52333 19/20 0.72
▸ JAK2 O60674 11/20 0.72
▸ CYP3A4 P08684 8/20 0.66
▸ CYP1A2 P05177 2/20 0.60
▸ TYK2 P29597 1/20 0.59
▸ PDGFRB P09619 1/20 0.57
▸ PDGFRA P16234 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
SCHEMBL341143 1.00 JAK1 (0.72) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29610392 0.94 JAK1 (0.75) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL340205 0.94 JAK1 (0.75) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL340663 0.93 JAK1 (0.72) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29610221 0.93 JAK1 (0.72) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL341520 0.89 JAK1 (0.71) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL342437 0.89 JAK1 (0.68) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL340056 0.87 JAK1 (0.83) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29611405 0.87 JAK1 (0.83) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29610463 0.87 JAK1 (0.68) JAK1JAK3JAK2CYP3A4CYP1A2

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