SCHEMBL2334559

SCHEMBL2334559

C=C(Cc1ccc(-c2cccnc2)cc1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 11/20 0.56
MKNK2 Q9HBH9 11/20 0.56
CYP2A6 P11509 2/20 0.55
WNT3A P56704 2/20 0.51
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.49
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
NTRK1 P04629 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
LTK P29376 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL13492969 0.84 MKNK1 (0.63) MKNK1MKNK2CYP2A6WNT3AHTT
SCHEMBL1124410 0.83 WNT3A (0.40) MKNK1MKNK2WNT3AHTTLMNA
SCHEMBL2334696 0.83 CYP17A1 (0.50) MKNK2WNT3AHTTLMNAMAP4K4
SCHEMBL29864463 0.83 NAPRT (0.61) CYP1A2CYP3A4
SCHEMBL6664798 0.83 NAPRT (0.61) CYP1A2CYP3A4
SCHEMBL28305277 0.80 MKNK1 (0.71) MKNK1MKNK2CYP2A6LMNACA12
SCHEMBL31338446 0.80 LMNA (0.67) MKNK1MKNK2CYP2A6WNT3AHTT
SCHEMBL2385420 0.80 LMNA (0.67) MKNK1MKNK2CYP2A6WNT3AHTT
SCHEMBL28303354 0.78 MKNK1 (0.62) MKNK1MKNK2CYP2A6WNT3AHTT
SCHEMBL1124235 0.78 CA12 (0.46) WNT3AHTTCA12CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358673-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-08-24 EP claimed
WO-2010058353-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-27 WO claimed
EP-2358673-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-08-24 EP disclosed
WO-2010058353-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-27 WO disclosed