SCHEMBL4414478

SCHEMBL4414478

CC(C)Oc1cccc(Nc2nc3ncnc-3c(N)[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SYK P43405 1/20 0.39
MAP4K4 O95819 1/20 0.39
EGFR P00533 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
PDE9A O76083 1/20 0.37
PIK3CA P42336 2/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
TSHR P16473 1/20 0.36
LIMK2 P53671 2/20 0.36

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
SCHEMBL4412618 0.87 EGFR (0.49) MAP4K4EGFRMEN1KMT2AMAPT
SCHEMBL4417806 0.85 SYK (0.43) PLAUSYKMAP4K4EGFRMEN1
SCHEMBL4414428 0.81 EGFR (0.47) EGFRTSHR
SCHEMBL4410317 0.79 TAAR1 (0.48) EGFRMEN1KMT2ATSHRLIMK1
SCHEMBL4427810 0.79 EGFR (0.45) SYKEGFRMEN1KMT2AMAPT
SCHEMBL4412798 0.78 ROCK1 (0.50) EGFRROCK1
SCHEMBL4412315 0.78 ABCG2 (0.44) SYKEGFRMEN1KMT2AMAPT
SCHEMBL4417430 0.77 BRAF (0.41) SYKEGFRMEN1KMT2AMAPT
SCHEMBL351991 0.76 ALDH1A1 (0.35) L3MBTL1SYKPDE9ALIMK2BRD4
SCHEMBL4420185 0.75 ROCK1 (0.49) SYKMAP4K4EGFRMAPK8MAPK9

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