SCHEMBL18830128

SCHEMBL18830128

COc1ccc(N(N)c2nc(NC3COC3)ncc2N)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 10/20 0.38
▸ MAPK1 P28482 3/20 0.35
▸ SYK P43405 2/20 0.35
▸ MAPK3 P27361 1/20 0.35
▸ HPGDS O60760 2/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32

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
SCHEMBL18830098 0.92 MKNK1 (0.42) MAPK6MAPK1SYKMAPK3HPGDS
SCHEMBL18830059 0.89 MAPK1 (0.43) MAPK6MAPK1SYKMAPK3HPGDS
SCHEMBL18830090 0.88 SYK (0.44) MAPK6SYKAURKACCNA2CDK2
SCHEMBL18830136 0.88 SYK (0.42) MAPK6SYKAURKACCNA2CDK2
SCHEMBL18830257 0.87 MEN1 (0.43) MAPK6SYKAURKACCNA2CDK2
SCHEMBL18830434 0.86 MAPK6 (0.52) MAPK6SYKCDK2
SCHEMBL18830273 0.86 MAPK6 (0.40) MAPK6SYKHPGDSMKNK1AURKA
SCHEMBL18830094 0.85 CDK1 (0.46) MAPK6HPGDSMKNK1CDK2
SCHEMBL18830031 0.85 MAPK6 (0.42) MAPK6SYKHPGDS
SCHEMBL18830424 0.84 CDK1 (0.46) MAPK6AURKACCNA2CDK2CCNA1

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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