SCHEMBL17088513

SCHEMBL17088513

Cc1cccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 3/20 0.60
▸ MAPK9 P45984 2/20 0.60
▸ SYK P43405 14/20 0.60
▸ ZAP70 P43403 3/20 0.60
▸ EGFR P00533 1/20 0.59
▸ KCNH2 Q12809 2/20 0.53
▸ STAT6 P42226 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ JAK2 O60674 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ JAK1 P23458 1/20 0.51
▸ TYK2 P29597 1/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ JAK3 P52333 1/20 0.51

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
SCHEMBL14658552 0.85 MAPK8 (0.61) MAPK8MAPK9SYKZAP70EGFR
SCHEMBL14657619 0.83 IGF1R (0.64) MAPK8MAPK9SYKZAP70EGFR
SCHEMBL28110005 0.83 MAPK8 (0.71) MAPK8MAPK9SYKZAP70EGFR
SCHEMBL29761550 0.82 SYK (0.72) MAPK8MAPK9SYKZAP70EGFR
SCHEMBL14659023 0.82 SYK (0.72) MAPK8MAPK9SYKZAP70EGFR
SCHEMBL14658078 0.81 SYK (0.67) MAPK8MAPK9SYKZAP70EGFR
SCHEMBL14658869 0.78 MAPK8 (0.72) MAPK8MAPK9SYKZAP70EGFR
SCHEMBL1313173 0.78 MAPK8 (0.58) MAPK8MAPK9SYKZAP70EGFR
SCHEMBL17088514 0.78 MAPK9 (0.78) MAPK8MAPK9SYKZAP70EGFR
SCHEMBL14656538 0.78 EGFR (0.69) MAPK8MAPK9SYKZAP70EGFR

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
US-9139534-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-09-22 — — US disclosed
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