SCHEMBL17340313

SCHEMBL17340313

Cc1cccc(Nc2nc(C)[nH]c(=O)c2C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.54
SYK P43405 14/20 0.46
KCNH2 Q12809 4/20 0.46
AURKB Q96GD4 3/20 0.46
ZAP70 P43403 1/20 0.46
KDR P35968 1/20 0.45
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
ABL2 P42684 1/20 0.43
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43
FER P16591 1/20 0.43

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
SCHEMBL10271837 0.81 SYK (0.46) SYKKCNH2AURKBZAP70MAPK3
SCHEMBL10272159 0.81 SYK (0.59) SYKKCNH2AURKBZAP70
SCHEMBL2716538 0.81 SYK (0.50) SYKKCNH2AURKBZAP70
SCHEMBL2728647 0.79 SYK (0.48) SYK
SCHEMBL2728643 0.79 SYK (0.48) SYK
SCHEMBL2717937 0.78 SYK (0.42) ADORA3SYKKCNH2AURKBZAP70
SCHEMBL2718568 0.77 SYK (0.41) SYKKCNH2AURKBZAP70
SCHEMBL1949965 0.74 LMNA (0.49) SYKKCNH2AURKBZAP70KDR
SCHEMBL10127056 0.74 GFER (0.47) SYKEGFR
SCHEMBL17069448 0.73 LMNA (0.48) SYKKCNH2AURKBZAP70KDR

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-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed