SCHEMBL21427160

SCHEMBL21427160

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C(O)(O)O)CC4)CC3)c(OC)c2)nc1NC1CCOCC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 12/20 0.86
RET P07949 10/20 0.86
ROS1 P08922 10/20 0.86
EML4 Q9HC35 10/20 0.86
ALK Q9UM73 10/20 0.86
AXL P30530 5/20 0.86
ETV6 P41212 4/20 0.86
BMPR1B O00238 1/20 0.86
PLK4 O00444 1/20 0.86
CIT O14578 1/20 0.86
AURKA O14965 1/20 0.86
GAK O14976 1/20 0.86
EPHB6 O15197 1/20 0.86
RIPK2 O43353 1/20 0.86
BUB1 O43683 1/20 0.86
SNRNP200 O75643 1/20 0.86
STK16 O75716 1/20 0.86
STK10 O94804 1/20 0.86
MAP4K4 O95819 1/20 0.86
LATS1 O95835 1/20 0.86

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
SCHEMBL23169098 0.94 FLT3 (0.85) FLT3RETROS1EML4ALK
Gilteritinib SCHEMBL29355822 0.92 FLT3 (1.00) FLT3RETROS1EML4ALK
Gilteritinib SCHEMBL282229 0.92 FLT3 (1.00) FLT3RETROS1EML4ALK
Gilteritinib SCHEMBL29432551 0.92 FLT3 (1.00) FLT3RETROS1EML4ALK
SCHEMBL22652336 0.92 FLT3 (0.89) FLT3RETROS1EML4ALK
SCHEMBL21455071 0.92 FLT3 (0.89) FLT3RETROS1EML4ALK
SCHEMBL28655823 0.92 FLT3 (0.88) FLT3RETROS1EML4ALK
SCHEMBL29383062 0.92 FLT3 (0.88) FLT3RETROS1EML4ALK
SCHEMBL328303 0.91 FLT3 (0.94) FLT3RETROS1EML4ALK
Gilteritinib SCHEMBL22684912 0.90 FLT3 (0.91) FLT3RETROS1EML4ALK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019184966-A1 SUBSTITUTED DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND AND A COMPOSITION CONTAINING THE COMPOUND AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2019-10-03 WO disclosed