SCHEMBL3530503

SCHEMBL3530503

c1ccc2c(Nc3cncc(Sc4nnc[nH]4)n3)ncnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.40
ABCG2 Q9UNQ0 7/20 0.40
MAP4K4 O95819 2/20 0.40
LTK P29376 2/20 0.40
MAPK8 P45983 2/20 0.40
LIMK1 P53667 2/20 0.40
ACVR1 Q04771 2/20 0.40
DYRK1A Q13627 2/20 0.40
MAPK14 Q16539 2/20 0.40
LRRK2 Q5S007 2/20 0.40
AURKB Q96GD4 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
DAPK3 O43293 1/20 0.40
ABL1 P00519 1/20 0.40
ERBB2 P04626 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
CSNK1A1 P48729 1/20 0.40
RPS6KA3 P51812 1/20 0.40

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
SCHEMBL2642217 0.72 MAP4K4 (0.32) EGFRMAP4K4
SCHEMBL6831390 0.67 EGFR (0.57) EGFRABCG2MAP4K4LTKMAPK8
SCHEMBL6829258 0.66 EGFR (0.58) EGFRABCG2MAP4K4LTKMAPK8
SCHEMBL8976752 0.65 EGFR (0.78) EGFRABCG2MAP4K4LTKMAPK8
SCHEMBL2642283 0.64 GCK (0.39) EGFRLRRK2SYK
SCHEMBL2642400 0.64 GCK (0.48) EGFRABCG2MAP4K4LTKMAPK8
SCHEMBL19160469 0.63 KDM1A (0.40) EGFR
SCHEMBL6831353 0.62 EGFR (0.62) EGFRABCG2MAP4K4LTKMAPK8
SCHEMBL4149506 0.62 ABCG2 (0.57) EGFRABCG2MAP4K4LTKMAPK8
SCHEMBL31399978 0.62 MAPT (0.36) LMNASMN1; SMN2MAPK1GAAGLA

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-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US claimed