SCHEMBL20106215

SCHEMBL20106215

CC(C)(N)CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)O)c2n1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.69
JAK2 O60674 17/20 0.69

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
SCHEMBL22198107 1.00 NTRK1 (0.69) NTRK1JAK2
SCHEMBL22198187 0.91 NTRK1 (0.65) NTRK1JAK2
SCHEMBL20106204 0.91 NTRK1 (0.65) NTRK1JAK2
SCHEMBL20106047 0.89 NTRK1 (0.59) NTRK1JAK2
SCHEMBL20613724 0.88 NTRK1 (0.69) NTRK1JAK2
SCHEMBL2599206 0.88 NTRK1 (0.72) NTRK1JAK2
SCHEMBL2599208 0.88 NTRK1 (0.72) NTRK1JAK2
SCHEMBL933657 0.88 NTRK1 (0.81) NTRK1JAK2
SCHEMBL933659 0.88 NTRK1 (0.81) NTRK1JAK2
SCHEMBL20106459 0.87 NTRK1 (0.69) 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