SCHEMBL17636364

SCHEMBL17636364

CC1C=CC(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)C3)=CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
TGM2 P21980 16/20 0.40
F13A1 P00488 2/20 0.40
TGM1 P22735 2/20 0.40
TGM6 O95932 1/20 0.39
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL1046294 0.87 KCNH2 (0.52) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL1052236 0.76 KCNH2 (0.54) P2RX7
SCHEMBL1048233 0.74 KCNH2 (0.55) KLK7KLK5P2RX7
SCHEMBL15760198 0.73 KCNH2 (0.56) P2RX7
SCHEMBL1051096 0.72 KCNH2 (0.58) KLK7KLK5P2RX7
SCHEMBL28290512 0.70 ITGB3 (0.61) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL28290510 0.70 ITGB3 (0.61) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL3769436 0.70 KCNH2 (0.60)
SCHEMBL15760139 0.70 KCNH2 (0.44) P2RX7
SCHEMBL21009799 0.69 ITGB3 (0.62) ITGB3ITGA2BTGM2F13A1TGM1

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
EP-2737927-B1 Imidazo[1,2a]pyrazines and compositions comprising them for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-03-30 EP disclosed