SCHEMBL20106377

SCHEMBL20106377

Cc1cnn2ccc(N3CCCC3c3cc(F)cnc3C#CC(C)N)nc12

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.59
JAK2 O60674 13/20 0.59
ROS1 P08922 1/20 0.52

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
SCHEMBL20106100 0.86 NTRK1 (0.63) NTRK1JAK2
SCHEMBL21243831 0.86 NTRK1 (0.63) NTRK1JAK2
SCHEMBL20106376 0.86 NTRK1 (0.63) NTRK1JAK2
SCHEMBL20106530 0.86 NTRK1 (0.63) NTRK1JAK2
SCHEMBL20106142 0.83 NTRK1 (0.59) NTRK1JAK2
SCHEMBL22097430 0.81 NTRK1 (0.64) NTRK1JAK2
SCHEMBL22105319 0.81 NTRK1 (0.64) NTRK1JAK2
SCHEMBL23408760 0.80 NTRK1 (0.74) NTRK1JAK2
SCHEMBL20015988 0.80 NTRK1 (0.74) NTRK1JAK2
SCHEMBL20106185 0.80 NTRK1 (0.61) NTRK1JAK2

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
WO-2018081417-A2 PROCESS FOR THE PREPARATION OF PYRAZOLO[1,5-a]PYRIMIDINES AND SALTS THEREOF ZHAO QIAN (US) 2018-05-03 WO disclosed