SCHEMBL3397301

SCHEMBL3397301

Cc1ccc(Nc2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)CNC=N3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
LMNA P02545 3/20 0.50
IGF1R P08069 2/20 0.47
MAPK1 P28482 3/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK10 P53779 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL3406123 0.92 IGF1R (0.48) MAPTLMNAIGF1RMAPK1TP53
SCHEMBL3402080 0.82 ZAP70 (0.48) MAPTLMNAMAPK1TP53NPSR1
SCHEMBL3428992 0.81 AURKA (0.49) MAPTIGF1RMAPK1TP53NPSR1
SCHEMBL3405873 0.80 ZAP70 (0.46) MAPTMAPK1TP53NPSR1CYP1A2
SCHEMBL3401682 0.79 ZAP70 (0.44) MAPTLMNAMAPK1TP53NPSR1
SCHEMBL3428156 0.76 ZAP70 (0.45) MAPTMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL3397387 0.75 ZAP70 (0.48) MAPTMAPK1SMN1; SMN2CYP1A2MAPK10
SCHEMBL1058728 0.71 SYK (0.56) MAPTLMNAIGF1RMAPK1TP53
SCHEMBL3359711 0.67 MAPT (0.42) MAPTIGF1RMAPK1TP53NPSR1
SCHEMBL13963085 0.67 IGF1R (0.68) MAPTLMNAIGF1RMAPK1TP53

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