SCHEMBL4753476

SCHEMBL4753476

Nc1nc(-c2ccccc2)c2c(N)n[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.51
ADORA2A P29274 7/20 0.50
NUDT1 P36639 1/20 0.50
AURKA O14965 1/20 0.46
PDPK1 O15530 1/20 0.46
TGFBR1 P36897 1/20 0.46
AURKB Q96GD4 1/20 0.46
ADORA1 P30542 5/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
KMT2A Q03164 2/20 0.43
CSNK1A1 P48729 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MEN1 O00255 1/20 0.43
BTK Q06187 2/20 0.43
JAK2 O60674 2/20 0.42
DHFR P00374 1/20 0.42
PIK3CG P48736 1/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL16475309 0.84 ALDH1A1 (0.56) AURKAPDPK1TGFBR1AURKBKDM4E
SCHEMBL16475312 0.78 ADORA1 (0.51) ADORA2AAURKAPDPK1TGFBR1AURKB
SCHEMBL13329282 0.78 KMT2A (0.46) ADORA2AAURKAPDPK1TGFBR1AURKB
SCHEMBL3393329 0.78 HPGD (0.44) CHUKADORA2ANUDT1ADORA1KDM4E
SCHEMBL8402104 0.76 BTK (0.58) BTKPIK3CG
SCHEMBL18040266 0.75 DPP4 (0.49) ADORA2AADORA1KDM4EALDH1A1KMT2A
SCHEMBL16475314 0.75 BTK (0.36) ADORA2AAURKAAURKBADORA1KDM4E
SCHEMBL3716787 0.75 NPC1 (0.46) ADORA2AADORA1KDM4EALDH1A1CYP1A2
SCHEMBL6115757 0.74 BTK (0.67) ADORA2AAURKAPDPK1TGFBR1AURKB
SCHEMBL13329310 0.74 LMNA (0.48) ADORA2AKDM4EALDH1A1KMT2AMEN1

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