SCHEMBL17340372

SCHEMBL17340372

COc1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)cnc2C(N)=O)ccc1N1CCC2(CC1)OCCC2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.55
EML4 Q9HC35 14/20 0.55
FLT3 P36888 10/20 0.49
RET P07949 8/20 0.49
ROS1 P08922 8/20 0.49
BMPR1B O00238 1/20 0.46
PLK4 O00444 1/20 0.46
CIT O14578 1/20 0.46
AURKA O14965 1/20 0.46
GAK O14976 1/20 0.46
EPHB6 O15197 1/20 0.46
RIPK2 O43353 1/20 0.46
BUB1 O43683 1/20 0.46
SNRNP200 O75643 1/20 0.46
STK16 O75716 1/20 0.46
STK10 O94804 1/20 0.46
MAP4K4 O95819 1/20 0.46
LATS1 O95835 1/20 0.46
EGFR P00533 1/20 0.46
SLC25A5 P05141 1/20 0.46

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
SCHEMBL10156346 0.90 ALK (0.58) ALKEML4FLT3RETROS1
SCHEMBL328442 0.84 ALK (0.58) ALKEML4FLT3RETROS1
SCHEMBL10129765 0.80 ALK (0.56) ALKEML4FLT3RETROS1
SCHEMBL10129630 0.79 ALK (0.49) ALKEML4FLT3RETROS1
SCHEMBL10156997 0.77 ALK (0.64) ALKEML4FLT3RETROS1
SCHEMBL17690596 0.77 ALK (0.49) ALKEML4FLT3RETROS1
SCHEMBL30856934 0.77 FLT3 (0.76) ALKEML4FLT3RETROS1
SCHEMBL10157362 0.74 MAPK10 (0.49) ALKEML4FLT3RETROS1
SCHEMBL17690654 0.73 EML4 (0.53) ALKEML4FLT3RETROS1
SCHEMBL609452 0.71 ALK (0.64) ALKEML4FLT3RETROS1

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-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed