SCHEMBL8251256

SCHEMBL8251256

COc1ncc(-c2ccoc2)cc1-c1cnc(NC(=O)c2ccncc2C)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 10/20 0.46
▸ IKBKE Q14164 1/20 0.44
▸ TBK1 Q9UHD2 1/20 0.44
▸ POLQ O75417 2/20 0.40
▸ ABCB1 P08183 1/20 0.38
▸ ABCC1 P33527 1/20 0.38
▸ FYN P06241 1/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ BRAF P15056 2/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ PIK3C3 Q8NEB9 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
SCHEMBL5554279 0.90 IL2 (0.53) IL2IKBKETBK1POLQABCB1
SCHEMBL8257714 0.85 IL2 (0.45) IL2POLQABCB1ABCC1
SCHEMBL5550959 0.85 IL2 (0.48) IL2IKBKETBK1LRRK2
SCHEMBL5554212 0.83 IL2 (0.50) IL2IKBKETBK1FYN
SCHEMBL5550506 0.82 IL2 (0.44) IL2POLQABCB1ABCC1LRRK2
SCHEMBL5554305 0.82 IL2 (0.44) IL2POLQ
SCHEMBL8258539 0.82 STIM1 (0.53) IL2
SCHEMBL5550920 0.81 IL2 (0.54) IL2
SCHEMBL5550900 0.76 IL2 (0.52) IL2ABCB1ABCC1
SCHEMBL15395956 0.75 KDM4E (0.47) IL2ABCB1ABCC1

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-2006081391-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 — — WO disclosed
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