SCHEMBL3397387

SCHEMBL3397387

Fc1ccc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)CNC=N3)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.48
NTRK1 P04629 1/20 0.42
MAPT P10636 3/20 0.41
TSHR P16473 1/20 0.41
NR4A1 P22736 1/20 0.41
CYP1B1 Q16678 3/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AURKA O14965 2/20 0.40
AURKB Q96GD4 1/20 0.40
SYK P43405 1/20 0.40
PLK4 O00444 3/20 0.40
HTT P42858 1/20 0.40
MAPK10 P53779 2/20 0.39
MAPK13 O15264 1/20 0.39

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
SCHEMBL3402080 0.90 ZAP70 (0.48) ZAP70MAPTTSHRNR4A1CYP1B1
SCHEMBL3401682 0.84 ZAP70 (0.44) ZAP70MAPTTSHRNR4A1CYP1B1
SCHEMBL3405873 0.79 ZAP70 (0.46) ZAP70NTRK1MAPTCYP1B1CYP1A1
SCHEMBL3428156 0.76 ZAP70 (0.45) ZAP70NTRK1MAPTTSHRMEN1
SCHEMBL3397301 0.75 MAPT (0.50) ZAP70MAPTCYP1A2KDM4EMEN1
SCHEMBL3428992 0.74 AURKA (0.49) ZAP70MAPTMAPK1AURKASYK
SCHEMBL1059320 0.74 ZAP70 (0.59) ZAP70NTRK1MAPTTSHRNR4A1
SCHEMBL3406123 0.71 IGF1R (0.48) ZAP70MAPTKDM4EMEN1MAPK1
SCHEMBL3394570 0.71 ZAP70 (0.55) ZAP70MAPTTSHRNR4A1CYP1B1
SCHEMBL1059382 0.71 ZAP70 (0.55) ZAP70NTRK1MAPTTSHRNR4A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250169-A1 PYRIDO [4, 3-D]PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-11-17 EP claimed
WO-2009099801-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-08-13 WO claimed