SCHEMBL28265682

SCHEMBL28265682

NC(=O)c1ccc(=O)n(-c2ccccc2)c1-c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.48
MKNK2 Q9HBH9 9/20 0.48
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RIPK2 O43353 1/20 0.42
MAPT P10636 2/20 0.41
GLO1 Q04760 1/20 0.41
KMT2A Q03164 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL30672495 0.78 MKNK1 (0.52) MKNK1MKNK2CYP1A2POLBCYP3A4
SCHEMBL30672492 0.76 MAPT (0.48) MKNK1MKNK2CYP1A2POLBCYP3A4
SCHEMBL29288019 0.76 MAPT (0.48) MKNK1MKNK2CYP1A2POLBCYP3A4
SCHEMBL30514275 0.70 BCAT2 (0.67) MKNK1MKNK2PKN1PKN2KMT2A
SCHEMBL31227976 0.70 BCAT2 (0.67) MKNK1MKNK2PKN1PKN2KMT2A
SCHEMBL167082 0.70 BCAT2 (0.67) MKNK1MKNK2PKN1PKN2KMT2A
Hydrochloric Acid SCHEMBL27890957 0.68 BCAT2 (0.65) MKNK1MKNK2PKN1PKN2KMT2A
Hydrochloric Acid SCHEMBL30165666 0.68 BCAT2 (0.65) MKNK1MKNK2PKN1PKN2KMT2A
SCHEMBL28619699 0.68 HTT (0.42) MKNK1MKNK2MAPTALDH1A1
SCHEMBL9894437 0.68 MAPT (0.50) MKNK1MKNK2CYP1A2POLBCYP3A4

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
CN-109195965-A The inhibitor that WDR5 protein-protein combines 普罗佩纶治疗公司 2019-01-11 CN disclosed