SCHEMBL19441276

SCHEMBL19441276

CC(C)C(C)c1cc(F)cc(OCC2COC(C)(C)O2)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ NTRK1 P04629 2/20 0.40
▸ CA2 P00918 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36

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
SCHEMBL4104877 0.90 MAPK14 (0.43) MAPK14JAK2NTRK1CA2CCNK
SCHEMBL4306726 0.81 MAPK14 (0.45) MAPK14JAK2NTRK1CA2CCNK
SCHEMBL2878758 0.80 MAPK14 (0.44) MAPK14JAK2NTRK1CA2CCNK
SCHEMBL4100658 0.78 MAPK14 (0.43) MAPK14JAK2NTRK1CA2CCNK
SCHEMBL7594473 0.77 MAPK14 (0.48) MAPK14JAK2NTRK1CA2CCNK
SCHEMBL19560079 0.76 MAPK14 (0.52) MAPK14
SCHEMBL9774733 0.75 MAPK14 (0.53) MAPK14CA2
SCHEMBL9774729 0.75 MAPK14 (0.53) MAPK14CA2
SCHEMBL18812935 0.74 JAK2 (0.56) MAPK14JAK2NTRK1CCNKCDK12
SCHEMBL10387224 0.72 MAPK14 (0.50) MAPK14CA2

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-9782415-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-10 — — US disclosed
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