SCHEMBL18917079

SCHEMBL18917079

NC(=O)c1nccc(N)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 3/20 0.44
LCK P06239 1/20 0.39
MAP2K6 P52564 1/20 0.39
BTK Q06187 1/20 0.39
MAP3K19 Q56UN5 1/20 0.39
NEK10 Q6ZWH5 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
LIMK1 P53667 3/20 0.38
NNMT P40261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IKBKB O14920 2/20 0.36
CHUK O15111 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 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
SCHEMBL22688920 0.83 KDM4E (0.47) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL29275431 0.81 HSD17B10 (0.40) MAP2K3LCKMAP2K6BTKMAP3K19
SCHEMBL3119349 0.79 MAP2K3 (0.39) MAP2K3MKNK1MKNK2NNMTSMN1; SMN2
SCHEMBL31408890 0.79 MAP2K3 (0.42) MAP2K3MKNK1MKNK2LIMK1IKBKB
SCHEMBL3828963 0.79 MAP2K3 (0.39) MAP2K3LCKMAP2K6BTKMAP3K19
SCHEMBL15757457 0.79 NOS2 (0.52) MAP2K3LCKMAP2K6BTKMAP3K19
SCHEMBL3631556 0.79 MAP2K3 (0.39) MAP2K3LCKMAP2K6BTKMAP3K19
SCHEMBL21198627 0.76 KDM4E (0.38) MAP2K3LCKMAP2K6BTKMAP3K19
SCHEMBL21198626 0.76 HSD17B10 (0.37) MAP2K3MKNK1MKNK2LIMK1IKBKB
SCHEMBL20579524 0.76 MAP2K3 (0.40) MAP2K3LCKMAP2K6BTKMAP3K19

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
EP-2922841-B1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed