SCHEMBL4776926

SCHEMBL4776926

C[C@@H](Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2cn1)[C@H](O)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 16/20 0.81
MAPK13 O15264 2/20 0.58
MAPK12 P53778 2/20 0.58
MAPK11 Q15759 2/20 0.58
MAPK14 Q16539 2/20 0.58
EIF2AK2 P19525 1/20 0.58
EGFR P00533 4/20 0.56
ERBB2 P04626 2/20 0.56
PRKD3 O94806 1/20 0.55
PRKCG P05129 1/20 0.55
PRKCB P05771 1/20 0.55
SRC P12931 1/20 0.55
PRKCA P17252 1/20 0.55
PRKCH P24723 1/20 0.55
PRKCI P41743 1/20 0.55
PRKCE Q02156 1/20 0.55
MAP2K1 Q02750 1/20 0.55
PRKCQ Q04759 1/20 0.55
PRKCZ Q05513 1/20 0.55
PRKCD Q05655 1/20 0.55

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
SCHEMBL4776921 1.00 MAP3K8 (0.81) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL5119178 0.90 MAP3K8 (1.00) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL5124891 0.90 MAP3K8 (1.00) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL4777282 0.85 MAP3K8 (1.00) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL4774544 0.85 MAP3K8 (1.00) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL5118410 0.82 MAP3K8 (0.70) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL5118205 0.82 MAP3K8 (0.70) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL4776035 0.80 MAP3K8 (1.00) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL28770273 0.79 MAP3K8 (0.69) MAP3K8MAPK13MAPK12MAPK11MAPK14
SCHEMBL5113127 0.78 MAP3K8 (1.00) MAP3K8MAPK13MAPK12MAPK11MAPK14

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-1881981-A1 4, 6-DIAMINO-[1,7] NAPHTHYRIDINE-3-CARBONITRILE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-01-30 EP disclosed
WO-2006124944-A1 4, 6-DIAMINO-[1,7] NAPHTHYRIDINE-3-CARBONITRILE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 WO disclosed