SCHEMBL21732072

SCHEMBL21732072

C[S+]([O-])c1ccc2c(c1)CNC2C(=O)Nc1cnc(N2CCCC2c2cccc(F)c2)nc1

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
SCHEMBL21732179 0.91 PIK3C3 (0.36) NTRK1
SCHEMBL21732071 0.87 RORC (0.49) NTRK1JAK2
SCHEMBL21732119 0.85 NTRK1 (0.41) NTRK1JAK2
SCHEMBL21732254 0.82 NTRK1 (0.41) NTRK1JAK2
SCHEMBL21732285 0.80 JAK2 (0.35) NTRK1JAK2
SCHEMBL21732266 0.79 RORC (0.38) NTRK1JAK2
SCHEMBL21732180 0.78 RORC (0.47)
SCHEMBL21732208 0.77 RORC (0.39) NTRK1
SCHEMBL21732214 0.77 RORC (0.36) NTRK1
SCHEMBL21732220 0.77 NTRK1 (0.44) 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