SCHEMBL29927883

SCHEMBL29927883

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.51
INSR P06213 2/20 0.51
HTT P42858 1/20 0.49
KDR P35968 1/20 0.46
ATM Q13315 8/20 0.45
MAP4K4 O95819 3/20 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
CHRM4 P08173 1/20 0.38
USP10 Q14694 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
USP13 Q92995 1/20 0.38
LMNA P02545 1/20 0.36
PDGFRB P09619 1/20 0.36

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
SCHEMBL29928392 0.83 AXL (0.53) AXLINSRHTTKDRATM
SCHEMBL30090637 0.75 AXL (0.55) AXLINSRHTTKDRATM
SCHEMBL29927676 0.74 ATM (0.69) AXLINSRKDRATMPIK3CA
SCHEMBL18312194 0.70 MAP4K4 (0.74) MAP4K4
SCHEMBL29728028 0.70 MAP4K4 (0.74) MAP4K4
SCHEMBL29928613 0.69 HTR2C (0.47) AXLINSRKDRATMPIK3CA
SCHEMBL29928021 0.69 KDR (0.50) AXLHTTKDRMAP4K4PIK3CA
SCHEMBL21456824 0.69 HTT (0.58) AXLINSRHTTMAP4K4CHRM4
SCHEMBL858063 0.67 PDE4A (0.53) HTTMAP4K4USP10PIK3C3USP13
SCHEMBL29461081 0.67 PDE4A (0.53) HTTMAP4K4USP10PIK3C3USP13

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