SCHEMBL3406123

SCHEMBL3406123

Cc1cccc(Nc2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)CNC=N3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.48
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
SRC P12931 1/20 0.45
JAK2 O60674 1/20 0.44
EGFR P00533 1/20 0.44
JAK3 P52333 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPK1 P28482 1/20 0.42
PKMYT1 Q99640 2/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL3397301 0.92 MAPT (0.50) IGF1RMAPTLMNAMEN1KMT2A
SCHEMBL3402080 0.79 ZAP70 (0.48) MAPTLMNAMEN1KMT2ATP53
SCHEMBL3428992 0.77 AURKA (0.49) IGF1RMAPTTP53MAPK1BRD4
SCHEMBL3405873 0.77 ZAP70 (0.46) MAPTTP53JAK2JAK3MAPK1
SCHEMBL3401682 0.75 ZAP70 (0.44) MAPTLMNAMEN1KMT2ATP53
SCHEMBL1059680 0.73 SRC (0.52) IGF1RMAPTLMNAMEN1KMT2A
SCHEMBL3428156 0.72 ZAP70 (0.45) MAPTMEN1KMT2AJAK2ALDH1A1
SCHEMBL3397387 0.71 ZAP70 (0.48) MAPTMEN1KMT2AMAPK1PKMYT1
SCHEMBL12617253 0.69 CHEK1 (0.59) IGF1RMAPTLMNAMEN1KMT2A
SCHEMBL14355350 0.69 MAPT (0.56) IGF1RMAPTLMNAMEN1KMT2A

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