SCHEMBL21574969

SCHEMBL21574969

N=C(CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1)NN

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 20/20 0.57
CHIA Q9BZP6 20/20 0.57
KCNH2 Q12809 16/20 0.57

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
SCHEMBL17838883 0.88 CHIT1 (0.73) CHIT1CHIAKCNH2
SCHEMBL16825739 0.87 CHIT1 (0.63) CHIT1CHIAKCNH2
SCHEMBL16826109 0.85 CHIT1 (0.72) CHIT1CHIAKCNH2
SCHEMBL17838871 0.85 CHIT1 (0.75) CHIT1CHIAKCNH2
SCHEMBL16825960 0.85 CHIT1 (0.71) CHIT1CHIAKCNH2
SCHEMBL16825803 0.84 CHIT1 (0.71) CHIT1CHIAKCNH2
SCHEMBL21638356 0.84 CHIT1 (0.65) CHIT1CHIAKCNH2
SCHEMBL17838838 0.83 CHIT1 (0.61) CHIT1CHIAKCNH2
SCHEMBL17854053 0.83 CHIT1 (0.66) CHIT1CHIAKCNH2
SCHEMBL17854055 0.83 CHIT1 (0.62) CHIT1CHIAKCNH2

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-3233832-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-11-20 EP disclosed