SCHEMBL10567402

SCHEMBL10567402

CNC(=NCCN)NC#N

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL10567477 0.87 CYP1A2 (0.41) HRH4
SCHEMBL11158901 0.85 DHPS (0.42) HRH4
SCHEMBL11158899 0.85 DHPS (0.42) HRH4
SCHEMBL9436083 0.84 HRH4 (0.31) HRH4ALDH1A1
SCHEMBL9435601 0.84 HRH4 (0.31) HRH4ALDH1A1
SCHEMBL9777093 0.82 HRH4 (0.32) HRH4ALDH1A1
SCHEMBL9777091 0.82 HRH4 (0.32) HRH4ALDH1A1
SCHEMBL9809757 0.80 BCHE (0.32) HRH4ALDH1A1
SCHEMBL10999299 0.80 HRH4 (0.31) HRH4ALDH1A1
SCHEMBL10999302 0.80 HRH4 (0.31) HRH4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56040669-A None JP disclosed
US-4803206-A Antihypertensive acylpyrazines SCHERING CORPORATION (US) 1989-02-07 US disclosed
JP-S5640669-A IMIDAZOLE DERIVATIVE AND ITS PREPARATION TAKEDA CHEM IND LTD 1981-04-16 JP disclosed