SCHEMBL5335887

SCHEMBL5335887

C=CC(=O)c1cnc(C)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.48
▸ ROCK1 Q13464 1/20 0.34
▸ FDPS P14324 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ AKT1 P31749 1/20 0.32
▸ ALDH5A1 P51649 1/20 0.31
▸ ABAT P80404 1/20 0.31
▸ PADI4 Q9UM07 1/20 0.30
▸ PIN1 Q13526 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL889025 0.75 — —
SCHEMBL889035 0.75 — —
Water SCHEMBL5369986 0.74 BAZ2B (0.53) BAZ2BROCK1FDPSHRH1HRH4
SCHEMBL759817 0.74 — —
SCHEMBL889052 0.72 BAZ2B (0.47) BAZ2BROCK1FDPSHRH1HRH4
SCHEMBL18415312 0.71 BAZ2B (0.50) BAZ2BROCK1FDPSHRH1HRH4
SCHEMBL19296762 0.71 BAZ2B (0.50) BAZ2BROCK1FDPSHRH1HRH4
SCHEMBL18870833 0.69 BAZ2B (0.53) BAZ2BROCK1FDPSHRH1HRH4
SCHEMBL23704476 0.67 BAZ2B (0.46) BAZ2BROCK1FDPSHRH1HRH4
SCHEMBL8653202 0.67 MMP2 (0.47) BAZ2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869016-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-12-26 — — EP disclosed
WO-2006095159-A1 (IMIDAZOLO-5-YL)-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2006-09-14 — — WO disclosed
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