SCHEMBL24783433

SCHEMBL24783433

CCC(=O)c1cnc(N)cc1Nc1cccc(-c2cc(P(C)(C)=O)n(C3CC3)n2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.49
▸ TYK2 P29597 17/20 0.42
▸ JAK1 P23458 8/20 0.41
▸ CYP2C19 P33261 1/20 0.38
▸ KCNH2 Q12809 2/20 0.37
▸ STAT3 P40763 1/20 0.37

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
SCHEMBL24783620 0.89 JAK2 (0.65) JAK2TYK2JAK1CYP2C19
SCHEMBL24782595 0.88 JAK2 (0.49) JAK2TYK2JAK1KCNH2STAT3
SCHEMBL24784226 0.87 JAK2 (0.46) JAK2TYK2JAK1KCNH2STAT3
SCHEMBL24784196 0.84 JAK2 (0.51) JAK2TYK2JAK1CYP2C19KCNH2
SCHEMBL24782692 0.82 JAK2 (0.48) JAK2TYK2JAK1KCNH2STAT3
SCHEMBL24782586 0.80 TYK2 (0.46) JAK2TYK2JAK1CYP2C19KCNH2
SCHEMBL24782592 0.80 JAK2 (0.45) JAK2TYK2JAK1CYP2C19KCNH2
SCHEMBL24782591 0.80 JAK2 (0.44) JAK2TYK2JAK1CYP2C19KCNH2
SCHEMBL24782774 0.79 JAK2 (0.69) JAK2TYK2JAK1CYP2C19
SCHEMBL24782590 0.78 JAK2 (0.50) JAK2TYK2JAK1CYP2C19KCNH2

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
WO-2022261524-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2022-12-15 — — WO disclosed
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