SCHEMBL13838310

SCHEMBL13838310

Cc1ccncc1C(=O)Nc1cnc(-c2cc(-c3cccnc3)ccc2C)cn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 11/20 0.54
▸ ABCB1 P08183 2/20 0.48
▸ ABCC1 P33527 2/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ DEGS1 O15121 1/20 0.43

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
SCHEMBL13838505 0.84 IL2 (0.53) IL2
SCHEMBL11911923 0.84 IL2 (0.65) IL2
SCHEMBL13838385 0.83 IL2 (0.54) IL2
SCHEMBL13838427 0.83 IL2 (0.46) IL2ABCB1ABCC1ABL1
SCHEMBL13727779 0.83 IL2 (0.51) IL2ABL1
SCHEMBL13729449 0.83 IL2 (0.51) IL2ABL1
SCHEMBL13730942 0.82 IL2 (0.51) IL2KDM4EMAPTABL1
SCHEMBL13838453 0.81 IL2 (0.50) IL2ABL1
SCHEMBL13838562 0.81 IL2 (0.48) IL2ABL1
SCHEMBL13729037 0.78 IL2 (0.47) IL2GAAABL1

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-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — WO disclosed
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