SCHEMBL18830139

SCHEMBL18830139

COc1ccc(N(N)c2nc(NC3CCN(c4ccncc4)CC3)ncc2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 6/20 0.51
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ PSEN1 P49768 8/20 0.40
▸ PSEN2 P49810 8/20 0.40
▸ APH1B Q8WW43 8/20 0.40
▸ NCSTN Q92542 8/20 0.40
▸ APH1A Q96BI3 8/20 0.40
▸ PSENEN Q9NZ42 8/20 0.40
▸ F10 P00742 1/20 0.38
▸ EHMT2 Q96KQ7 1/20 0.38
▸ GPR6 P46095 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL18830424 0.86 CDK1 (0.46) MAPK6
SCHEMBL18830090 0.84 SYK (0.44) MAPK6
SCHEMBL18830136 0.84 SYK (0.42) MAPK6
SCHEMBL18830059 0.83 MAPK1 (0.43) MAPK6
SCHEMBL18830257 0.83 MEN1 (0.43) MAPK6
SCHEMBL18830573 0.83 CDK1 (0.40) MAPK6
SCHEMBL18830600 0.83 DRD2 (0.40) MAPK6DRD2DRD3
SCHEMBL18830434 0.82 MAPK6 (0.52) MAPK6
SCHEMBL18830415 0.82 CDK1 (0.40) MAPK6DRD2DRD3
SCHEMBL18830031 0.81 MAPK6 (0.42) MAPK6

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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