SCHEMBL14530472

SCHEMBL14530472

C=C/C=C(\C=C/C)C(=O)Nc1nc(OCCc2ccccn2)cc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 2/20 0.47
▸ SYK P43405 2/20 0.47
▸ IRAK4 Q9NWZ3 2/20 0.47
▸ BRSK1 Q8TDC3 1/20 0.47
▸ FES P07332 1/20 0.43
▸ FER P16591 1/20 0.43
▸ FRK P42685 1/20 0.43
▸ CAMK1D Q8IU85 1/20 0.43
▸ PIKFYVE Q9Y2I7 1/20 0.43
▸ PIK3CA P42336 10/20 0.41
▸ PIK3CB P42338 4/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ NAPEPLD Q6IQ20 1/20 0.41
▸ PIK3CD O00329 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ AKT1 P31749 1/20 0.35

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
SCHEMBL13759345 0.88 TYK2 (0.38) TYK2SYKIRAK4BRSK1FES
SCHEMBL429098 0.78 TYK2 (0.53) TYK2SYKIRAK4BRSK1FES
SCHEMBL428249 0.77 TYK2 (0.50) TYK2SYKIRAK4BRSK1FES
SCHEMBL429031 0.77 TYK2 (0.53) TYK2SYKIRAK4BRSK1FES
SCHEMBL3110594 0.77 TYK2 (0.53) TYK2SYKIRAK4BRSK1FES
SCHEMBL14530471 0.72 TYK2 (0.64) TYK2SYKIRAK4BRSK1FES
SCHEMBL1617732 0.72 TYK2 (0.61) TYK2SYKIRAK4BRSK1FES
SCHEMBL1880231 0.69 TYK2 (0.66) TYK2SYKIRAK4BRSK1FES
SCHEMBL3100746 0.68 TYK2 (0.67) TYK2SYKIRAK4BRSK1FES
SCHEMBL3117453 0.67 PIK3CA (0.52) TYK2SYKIRAK4BRSK1FES

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-2007050980-A2 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2007-05-03 — — WO disclosed
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