SCHEMBL18830031

SCHEMBL18830031

COc1ccc(N(N)c2nc(NC3CCC(O)CC3)ncc2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 10/20 0.42
▸ FLT3 P36888 2/20 0.41
▸ TYRO3 Q06418 2/20 0.41
▸ MERTK Q12866 2/20 0.41
▸ GAS6 Q14393 2/20 0.41
▸ AXL P30530 1/20 0.41
▸ MAPK8 P45983 4/20 0.40
▸ MAPK10 P53779 3/20 0.40
▸ JUN P05412 1/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ MAPK9 P45984 3/20 0.39
▸ SYK P43405 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
SCHEMBL18830599 0.94 MAPK6 (0.44) MAPK6FLT3TYRO3MERTKGAS6
SCHEMBL18830422 0.91 MAPK6 (0.41) MAPK6FLT3TYRO3MERTKGAS6
SCHEMBL18830434 0.90 MAPK6 (0.52) MAPK6TYRO3MERTKAXLMAPK8
SCHEMBL18830273 0.90 MAPK6 (0.40) MAPK6MAPK8HPGDSMAPK9SYK
SCHEMBL18830136 0.90 SYK (0.42) MAPK6MERTKSYK
SCHEMBL18830090 0.90 SYK (0.44) MAPK6MERTKSYK
SCHEMBL18830257 0.89 MEN1 (0.43) MAPK6MERTKSYK
SCHEMBL18830094 0.87 CDK1 (0.46) MAPK6TYRO3AXLMAPK8HPGDS
SCHEMBL18830059 0.87 MAPK1 (0.43) MAPK6MAPK8MAPK10HPGDSMAPK9
SCHEMBL18830084 0.87 MAPK6 (0.45) MAPK6SYK

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
EP-2964649-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2017-05-10 — — EP disclosed
Send feedback