SCHEMBL24782602

SCHEMBL24782602

CCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cc(P(=O)(CC)CC)n(C)n2)c1OC

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.68
▸ TYK2 P29597 18/20 0.58
▸ JAK1 P23458 3/20 0.58
▸ CYP2C19 P33261 1/20 0.52

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
SCHEMBL24782774 0.93 JAK2 (0.69) JAK2TYK2JAK1CYP2C19
SCHEMBL24782611 0.92 JAK2 (0.67) JAK2TYK2JAK1CYP2C19
SCHEMBL24782780 0.90 JAK2 (0.56) JAK2TYK2JAK1CYP2C19
SCHEMBL24782687 0.90 JAK2 (0.69) JAK2TYK2JAK1CYP2C19
SCHEMBL24784209 0.86 JAK2 (0.66) JAK2TYK2JAK1CYP2C19
SCHEMBL24782692 0.86 JAK2 (0.48) JAK2TYK2JAK1
SCHEMBL24783620 0.86 JAK2 (0.65) JAK2TYK2JAK1CYP2C19
SCHEMBL24776107 0.84 JAK2 (0.74) JAK2TYK2JAK1CYP2C19
SCHEMBL29947165 0.84 JAK2 (0.74) JAK2TYK2JAK1CYP2C19
SCHEMBL30780454 0.84 TYK2 (0.59) JAK2TYK2JAK1CYP2C19

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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