SCHEMBL29838827

SCHEMBL29838827

Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4C[C@@H]5CN(C(=O)OC(C)(C)C)C[C@@H]5C4)ncnc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 17/20 0.58
▸ JAK2 O60674 7/20 0.45
▸ JAK3 P52333 6/20 0.45
▸ GPR119 Q8TDV5 2/20 0.42

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
SCHEMBL18419034 0.93 JAK1 (0.48) JAK1JAK2JAK3GPR119
SCHEMBL17500887 0.89 JAK1 (0.49) JAK1JAK2JAK3GPR119
SCHEMBL17500886 0.89 JAK1 (0.49) JAK1JAK2JAK3GPR119
SCHEMBL15970552 0.89 JAK1 (0.47) JAK1JAK2JAK3GPR119
SCHEMBL15970551 0.89 JAK1 (0.47) JAK1JAK2JAK3GPR119
SCHEMBL21373227 0.88 JAK1 (0.45) JAK1JAK2JAK3
SCHEMBL21434743 0.88 JAK1 (0.45) JAK1JAK2JAK3
SCHEMBL21434744 0.88 JAK1 (0.45) JAK1JAK2JAK3
SCHEMBL10226760 0.87 GPR119 (0.45) JAK1JAK2JAK3GPR119
SCHEMBL2732774 0.85 GPR119 (0.42) JAK1JAK2JAK3GPR119

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-3543241-B1 PREPARATION METHOD FOR AND INTERMEDIATE OF PYRROLO SIX-MEMBERED HETEROAROMATIC RING DERIVATIVE JIANGSU HENGRUI MEDICINE CO (CN) 2022-09-07 — — EP disclosed
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