SCHEMBL4411443

SCHEMBL4411443

NC(=O)c1c[nH]c2ccc(Nc3nc4ncnc-4c(N)[nH]3)cc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
EGFR P00533 3/20 0.36
MAP2K7 O14733 1/20 0.35
ERBB2 P04626 2/20 0.34
ERBB4 Q15303 2/20 0.34
ROCK2 O75116 2/20 0.34
NR4A2 P43354 4/20 0.33
JAK2 O60674 3/20 0.33
JAK3 P52333 3/20 0.33
NHERF1 O14745 1/20 0.33
AURKA O14965 2/20 0.33
AURKB Q96GD4 1/20 0.33
ROCK1 Q13464 1/20 0.33
RPS6KB1 P23443 1/20 0.33

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
SCHEMBL1306128 0.79 IRAK4 (0.39) SYKEGFRERBB2ERBB4ROCK2
SCHEMBL4412798 0.77 ROCK1 (0.50) EGFRAURKAROCK1
SCHEMBL4428827 0.76 EGFR (0.50) SYKEGFR
SCHEMBL4414311 0.73 EGFR (0.53) SYKALDH1A1EGFRROCK2
SCHEMBL4427810 0.71 EGFR (0.45) SYKEGFR
SCHEMBL4411564 0.70 CDC7 (0.49) SYKALDH1A1ATMEGFRJAK3
SCHEMBL4417948 0.69 GAA (0.43) JAK2JAK3AURKAROCK1
SCHEMBL4414428 0.69 EGFR (0.47) EGFRERBB2
SCHEMBL4413885 0.68 FYN (0.46) ALDH1A1JAK2JAK3AURKAAURKB
SCHEMBL4420185 0.68 ROCK1 (0.49) SYKEGFRERBB2ERBB4ROCK2

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-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US claimed