SCHEMBL21732259

SCHEMBL21732259

CSc1ccc2c(c1)CNC2C(=O)Nc1ccc(N2CCCC2c2cccc(F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.41
JAK2 O60674 4/20 0.39

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
SCHEMBL21732258 0.87 RORC (0.44) NTRK1JAK2
SCHEMBL21732072 0.75 NTRK1 (0.41) NTRK1JAK2
SCHEMBL21732071 0.74 RORC (0.49) NTRK1JAK2
SCHEMBL21732256 0.72 NTRK1 (0.47) NTRK1JAK2
SCHEMBL21732177 0.71 NTRK1 (0.42) NTRK1JAK2
SCHEMBL21732262 0.68 NTRK1 (0.54) NTRK1JAK2
SCHEMBL21723138 0.68 NTRK1 (0.52) NTRK1JAK2
SCHEMBL21732105 0.68 NTRK1 (0.52) NTRK1JAK2
SCHEMBL21723176 0.67 NTRK1 (0.47) NTRK1JAK2
SCHEMBL17358803 0.67 NTRK1 (0.47) 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-2020035557-A1 NOVEL HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2020-02-20 WO disclosed