SCHEMBL19416674

SCHEMBL19416674

COC(C)n1nnc2cnc(Cl)nc21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL18830089 0.84 MET (0.39) METKDM4EALDH1A1SMN1; SMN2
SCHEMBL31364861 0.73 CLK1 (0.38) MET
SCHEMBL31364948 0.73 MET (0.36) MET
SCHEMBL31531609 0.73 CLK1 (0.38) MET
SCHEMBL31364793 0.72 CCR4 (0.45) MET
SCHEMBL31364985 0.72 MET (0.42) METKDM4EALDH1A1SMN1; SMN2
SCHEMBL16022043 0.72 MET (0.45) METKDM4EALDH1A1SMN1; SMN2
SCHEMBL15146081 0.67 MAPK6 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL18181670 0.65 KCNN4 (0.41) METKDM4EALDH1A1SMN1; SMN2
SCHEMBL16012245 0.65 MAPK6 (0.41) MET

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-2807161-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2017-10-04 — — EP disclosed
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