SCHEMBL29928392

SCHEMBL29928392

Nc1nc(N)n(-c2ncnc3ccc(Cl)cc23)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.53
INSR P06213 2/20 0.51
HTT P42858 2/20 0.49
KDR P35968 1/20 0.46
ATM Q13315 7/20 0.45
NR4A2 P43354 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
PRKDC P78527 1/20 0.41
MAP4K4 O95819 3/20 0.39
EGFR P00533 1/20 0.38

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
SCHEMBL29927883 0.83 AXL (0.51) AXLINSRHTTKDRATM
SCHEMBL29927676 0.74 ATM (0.69) AXLINSRKDRATMPIK3CA
SCHEMBL4997739 0.72 AXL (0.73) AXLINSRKDR
SCHEMBL4990541 0.72 AXL (0.54) AXLINSRHTTKDR
SCHEMBL3337904 0.70 MAP4K4 (0.68) NR4A2CYP1A2CYP2D6MAP4K4
SCHEMBL29793572 0.69 PDE4A (0.57) HTTNR4A2CYP1A2CYP2D6MAP4K4
SCHEMBL856909 0.69 PDE4A (0.57) HTTNR4A2CYP1A2CYP2D6MAP4K4
SCHEMBL29928021 0.69 KDR (0.50) AXLHTTKDRPIK3CAPIK3CB
SCHEMBL29928613 0.69 HTR2C (0.47) AXLINSRKDRATMPIK3CA
SCHEMBL28164190 0.68 ALDH1A1 (0.43) HTT

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
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN claimed
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed