SCHEMBL18993965

SCHEMBL18993965

CCC(C)C(C)N1CCCC1c1cc(F)cc(OCC(O)CO)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.49
▸ NTRK1 P04629 9/20 0.49
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 2/20 0.34
▸ SCN3A Q9NY46 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.31

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
SCHEMBL4094951 0.90 JAK2 (0.53) JAK2NTRK1USP2TSHRSCN3A
SCHEMBL4296488 0.82 JAK2 (0.51) JAK2NTRK1USP2TSHRMAPK1
SCHEMBL16426169 0.79 JAK2 (0.49) JAK2NTRK1USP2TSHRMAPK1
SCHEMBL4106164 0.71 JAK2 (0.50) JAK2NTRK1SCN3AHRH3
SCHEMBL4106152 0.69 NTRK1 (0.52) JAK2NTRK1USP2TSHRMEN1
SCHEMBL19547145 0.65 JAK2 (0.33) JAK2NTRK1SCN3A
SCHEMBL18812935 0.64 JAK2 (0.56) JAK2NTRK1
SCHEMBL19547155 0.63 JAK2 (0.33) JAK2NTRK1
SCHEMBL19560120 0.63 NTRK1 (0.55) JAK2NTRK1MEN1KMT2A
SCHEMBL4102082 0.63 RIPK1 (0.37) NTRK1TSHR

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
US-9682979-B2 Substituted pyrazolo [1,5-A] pyrimidine compounds as TRK kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-06-20 — — US disclosed
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