SCHEMBL17626322

SCHEMBL17626322

CCCCC(=O)Nc1ccc(C[C@H](NC(=O)O)C(=O)N2CCn3c(nc(-c4cccc(F)c4)c3Nc3ccc(Cl)c(F)c3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.49
MC4R P32245 1/20 0.36
P2RX7 Q99572 1/20 0.34
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CSNK1E P49674 1/20 0.32

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
SCHEMBL17626350 0.94 KCNH2 (0.52) KCNH2MC4RP2RX7FPR1FPR2
SCHEMBL15750653 0.92 KCNH2 (0.55) KCNH2FPR1FPR2KMT2A
SCHEMBL2068274 0.92 KCNH2 (0.48) KCNH2MC4R
SCHEMBL1047347 0.91 KCNH2 (0.52) KCNH2P2RX7KDM4EMAPTCSNK1E
SCHEMBL17626365 0.88 KCNH2 (0.56) KCNH2P2RX7FPR1FPR2CSNK1E
SCHEMBL15750810 0.88 KCNH2 (0.52) KCNH2P2RX7KDM4EMAPTCSNK1E
SCHEMBL20121541 0.87 KCNH2 (0.57) KCNH2P2RX7KDM4EMAPTCSNK1E
SCHEMBL17626378 0.86 KCNH2 (0.52) KCNH2P2RX7FPR1FPR2MAPT
SCHEMBL17626374 0.86 KCNH2 (0.52) KCNH2P2RX7FPR1FPR2MAPT
SCHEMBL2069062 0.85 KCNH2 (0.51) KCNH2MC4RP2RX7KMT2A

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 2 patents. 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 claimed
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