SCHEMBL20015997

SCHEMBL20015997

Cc1cnn2ccc(N3CCCCC3)nc12

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 20/20 0.68

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
SCHEMBL15280681 0.98 SMPD3 (0.68) SMPD3
SCHEMBL18850559 0.86 SMPD3 (0.52) SMPD3
SCHEMBL23518736 0.86 SMPD3 (0.64) SMPD3
SCHEMBL31259868 0.81 SMPD3 (1.00) SMPD3
SCHEMBL31259862 0.81 SMPD3 (1.00) SMPD3
SCHEMBL15989384 0.79 SMPD3 (0.68) SMPD3
SCHEMBL18968044 0.79 SMPD3 (1.00) SMPD3
SCHEMBL24689691 0.79 SMPD3 (0.68) SMPD3
SCHEMBL31259884 0.79 SMPD3 (1.00) SMPD3
SCHEMBL20016005 0.79 SMPD3 (0.62) SMPD3

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-3299372-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OFSUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2018-03-28 EP disclosed