SCHEMBL3427467

SCHEMBL3427467

N[C@@H]1CCCN(c2cc3c(c(Nc4ccc5c(c4)OCO5)n2)CNC=N3)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.40
DPP4 P27487 11/20 0.39
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
JAK3 P52333 2/20 0.37
BTK Q06187 2/20 0.37
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ULK1 O75385 1/20 0.35
TRPC3 Q13507 1/20 0.35

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
SCHEMBL1059670 0.75 JAK2 (0.41) USP2DPP4LMNAMEN1KMT2A
SCHEMBL3428156 0.68 ZAP70 (0.45) USP2MEN1KMT2AMAPTMAPK1
SCHEMBL3428992 0.64 AURKA (0.49) TP53MAPTMAPK1HRH4
SCHEMBL1048871 0.61 ZAP70 (0.66) JAK3BTKLCK
SCHEMBL12928849 0.61 ZAP70 (0.66) JAK3BTKLCK
SCHEMBL1058372 0.59 SYK (0.46) DPP4MAPK1JAK3BTKEGFR
SCHEMBL19654330 0.58 BRD4 (0.60) USP2LMNAMEN1KMT2AMAPT
SCHEMBL19654326 0.58 BRD4 (0.60) USP2LMNAMEN1KMT2AMAPT
SCHEMBL17547519 0.58 ULK1 (0.53) ULK1
SCHEMBL378949 0.57 SMN1; SMN2 (0.62) LMNAMEN1KMT2AMAPTALOX15

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