SCHEMBL21732258

SCHEMBL21732258

CS(=O)(=O)c1ccc2c(c1)CN[C@H]2C(=O)Nc1ccc(N2CCCC2c2cccc(F)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.44
NTRK1 P04629 19/20 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
SCHEMBL21732259 0.87 NTRK1 (0.41) NTRK1JAK2
SCHEMBL21732071 0.87 RORC (0.49) RORCNTRK1JAK2
SCHEMBL21732176 0.83 RORC (0.44) RORCNTRK1JAK2
SCHEMBL21732180 0.78 RORC (0.47) RORC
SCHEMBL21732072 0.76 NTRK1 (0.41) NTRK1JAK2
SCHEMBL21732284 0.75 RORC (0.49) RORCNTRK1JAK2
SCHEMBL21732218 0.75 NTRK1 (0.42) NTRK1JAK2
SCHEMBL21732194 0.74 NTRK1 (0.40) RORCNTRK1JAK2
SCHEMBL21732118 0.73 RORC (0.51) RORC
SCHEMBL21732256 0.71 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