SCHEMBL18830599

SCHEMBL18830599

COc1ccc(N(N)c2nc(NC3CCC(O)C3)ncc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 10/20 0.44
▸ MAPK8 P45983 7/20 0.39
▸ MAPK9 P45984 4/20 0.39
▸ HPGDS O60760 1/20 0.37
▸ AXL P30530 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ GAS6 Q14393 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
SCHEMBL18830031 0.94 MAPK6 (0.42) MAPK6MAPK8MAPK9HPGDSAXL
SCHEMBL18830273 0.93 MAPK6 (0.40) MAPK6MAPK8MAPK9HPGDS
SCHEMBL18830135 0.87 MAPK6 (0.47) MAPK6
SCHEMBL18830394 0.87 MAPK6 (0.43) MAPK6MERTK
SCHEMBL18830422 0.87 MAPK6 (0.41) MAPK6MAPK8AXLFLT3TYRO3
SCHEMBL18830434 0.86 MAPK6 (0.52) MAPK6MAPK8AXLTYRO3MERTK
SCHEMBL18830090 0.86 SYK (0.44) MAPK6MERTK
SCHEMBL18830136 0.86 SYK (0.42) MAPK6MERTK
SCHEMBL18830167 0.85 MAPK6 (0.42) MAPK6
SCHEMBL18830257 0.85 MEN1 (0.43) MAPK6MERTK

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
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