SCHEMBL4753475

SCHEMBL4753475

Nc1ncc2c(N)nn(-c3ccccc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
MAPT P10636 2/20 0.44
DHFR P00374 1/20 0.44
RCE1 Q9Y256 1/20 0.44
SRC P12931 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
NPC1 O15118 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
SCHEMBL27243916 0.83 SRC (0.52) EGFRMAPTSRCPIK3CDPIK3R1
SCHEMBL9983699 0.77 ALDH1A1 (0.60) EGFRMEN1KMT2AKDM4EALDH1A1
SCHEMBL30297992 0.75 KDM4E (0.62) EGFRMEN1KMT2AKDM4EALDH1A1
SCHEMBL1747314 0.73 KDM4E (0.47) EGFRMEN1KMT2AKDM4EALDH1A1
SCHEMBL1662245 0.73 KDM4E (0.56) EGFRMEN1KMT2AKDM4EALDH1A1
SCHEMBL30139810 0.73 KHK (0.46)
SCHEMBL2951821 0.73 LMNA (0.47) MEN1KMT2ATSHRHSD17B10MAPT
SCHEMBL23711957 0.73 TLR7 (0.34) KDM4EHSD17B10DHFRSRCPIK3CD
SCHEMBL30139729 0.71 HRH3 (0.45) SRC
SCHEMBL30139732 0.70 BTK (0.50) EGFRALDH1A1PI4KAPI4K2BHSD17B10

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-1926734-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS USEFUL AS KINASE ENZYMES MODULATORS Amgen Inc. (US) 2008-06-04 EP claimed
WO-2007024680-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS USEFUL AS KINASE ENZYMES MODULATORS AMGEN INC. (US) 2007-03-01 WO claimed