SCHEMBL2487930

SCHEMBL2487930

Cc1cccc(Nc2nc(Nc3ccc(CNCCN4CCOCC4)cc3)ncc2C(N)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.60
KCNH2 Q12809 4/20 0.55
AURKB Q96GD4 4/20 0.55
ZAP70 P43403 1/20 0.55
STAT6 P42226 12/20 0.55
MAPK3 P27361 2/20 0.52
MAPK1 P28482 2/20 0.52

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
Hydrochloric Acid SCHEMBL2386825 0.99 SYK (0.59) SYKKCNH2AURKBZAP70STAT6
SCHEMBL737980 0.86 SYK (0.62) SYKKCNH2AURKBZAP70STAT6
SCHEMBL763619 0.84 SYK (0.62) SYKKCNH2AURKBZAP70STAT6
SCHEMBL4713716 0.81 SYK (0.66) SYKKCNH2AURKBZAP70STAT6
SCHEMBL2388956 0.81 SYK (0.66) SYKKCNH2AURKBZAP70STAT6
SCHEMBL2388556 0.81 SYK (0.64) SYKKCNH2AURKBZAP70STAT6
SCHEMBL2493850 0.80 SYK (0.72) SYKKCNH2AURKBZAP70STAT6
SCHEMBL2385345 0.80 SYK (0.64) SYKKCNH2AURKBZAP70STAT6
Hydrochloric Acid SCHEMBL2385618 0.79 SYK (0.71) SYKKCNH2AURKBZAP70STAT6
SCHEMBL737705 0.79 SYK (0.64) SYKKCNH2AURKBZAP70STAT6

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-1518855-B1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-10-26 EP disclosed