SCHEMBL3402080

SCHEMBL3402080

Cc1ccc(-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 3/20 0.48
CYP1B1 Q16678 2/20 0.41
CYP1A1 P04798 1/20 0.41
MAPT P10636 6/20 0.41
MAPK1 P28482 3/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
NR4A1 P22736 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDE2A O00408 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3397387 0.90 ZAP70 (0.48) ZAP70CYP1B1CYP1A1MAPTMAPK1
SCHEMBL3401682 0.88 ZAP70 (0.44) ZAP70CYP1B1CYP1A1MAPTMAPK1
SCHEMBL3397301 0.82 MAPT (0.50) ZAP70MAPTMAPK1TP53MEN1
SCHEMBL3405873 0.81 ZAP70 (0.46) ZAP70CYP1B1CYP1A1MAPTMAPK1
SCHEMBL3406123 0.79 IGF1R (0.48) ZAP70MAPTMAPK1TP53MEN1
SCHEMBL3428156 0.76 ZAP70 (0.45) ZAP70MAPTMAPK1MEN1KMT2A
SCHEMBL3428992 0.76 AURKA (0.49) ZAP70MAPTMAPK1TP53NPSR1
SCHEMBL1053031 0.74 ZAP70 (0.59) ZAP70
SCHEMBL3394570 0.71 ZAP70 (0.55) ZAP70CYP1B1CYP1A1MAPTMAPK1
SCHEMBL1055195 0.71 SYK (0.55) ZAP70

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