SCHEMBL2185846

SCHEMBL2185846

CCc1cc(-c2cnn[nH]2)ccc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.42
CDC7 O00311 3/20 0.40
GPR52 Q9Y2T5 1/20 0.38
MKNK1 Q9BUB5 9/20 0.36
MKNK2 Q9HBH9 9/20 0.36
SGK1 O00141 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
ACVR1 Q04771 1/20 0.35
PARP1 P09874 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL4811891 0.83 MKNK1 (0.52) CDC7GPR52MKNK1MKNK2BTK
SCHEMBL4552526 0.81 MKNK1 (0.38) CDC7MKNK1MKNK2BTK
SCHEMBL21857459 0.73 KDM4E (0.38)
SCHEMBL28940758 0.72 GPR52 (0.42) HSD17B1CDC7GPR52MKNK1MKNK2
SCHEMBL4437714 0.72 CHUK (0.59) HSD17B1CDC7MKNK1MKNK2
SCHEMBL21856932 0.71 TSHR (0.40)
SCHEMBL30268344 0.71 TSHR (0.40)
SCHEMBL3783154 0.70 PRKCI (0.43) HSD17B1CDC7PARP1GABRPGABRD
SCHEMBL4109320 0.69 HSD17B1 (0.39) HSD17B1CDC7GPR52MKNK1MKNK2
SCHEMBL20113065 0.69 GPR52 (0.46) HSD17B1GPR52MKNK1MKNK2SGK1

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-2346825-A2 MODULATORS OF P2X3 RECEPTOR ACTIVITY Evotec AG (DE) 2011-07-27 EP claimed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO claimed