Sugi Predict

Sugi Predict / Compounds / SCHEMBL998632

SCHEMBL998632

SCHEMBL998632

Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(N)C=O)C3)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 13/20 0.62
▸ CYP3A4 P08684 1/20 0.44
▸ TP53 P04637 4/20 0.37
▸ MAPT P10636 6/20 0.35
▸ GAA P10253 5/20 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
SCHEMBL997258 0.85 KCNH2 (0.65) KCNH2CYP3A4
SCHEMBL997860 0.84 KCNH2 (0.58) KCNH2CYP3A4
SCHEMBL998298 0.83 KCNH2 (0.54) KCNH2CYP3A4TP53MAPTGAA
SCHEMBL12952267 0.83 KCNH2 (0.68) KCNH2CYP3A4TP53MAPTGAA
SCHEMBL2068808 0.80 KCNH2 (0.75) KCNH2CYP3A4TP53MAPT
SCHEMBL12845507 0.80 KCNH2 (0.75) KCNH2CYP3A4TP53MAPT
SCHEMBL2068323 0.80 KCNH2 (0.75) KCNH2CYP3A4TP53MAPT
SCHEMBL20121559 0.79 KCNH2 (0.80) KCNH2CYP3A4TP53MAPT
SCHEMBL999072 0.79 KCNH2 (0.51) KCNH2CYP3A4
SCHEMBL2070086 0.79 KCNH2 (0.67) KCNH2CYP3A4TP53MAPTGAA

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-2451814-A2 FUSED IMIDAZOLES AND COMPOSITIONS COMPRISING THEM FOR THE TREATMENT OF PARASITIC DISEASES, SUCH AS E.G. MALARIA IRM LLC (BM) 2012-05-16 — — EP claimed
WO-2011006143-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-01-13 — — WO claimed