SCHEMBL946873

SCHEMBL946873

CC1(C)OCC(COc2cc(F)cc([C@H]3CCCN3C3=COC(N=[N])C=C3)c2)O1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.52
▸ NTRK1 P04629 7/20 0.52
▸ MAPK14 Q16539 5/20 0.32
▸ CCNK O75909 1/20 0.30
▸ CDK12 Q9NYV4 1/20 0.30

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
SCHEMBL948131 0.82 JAK2 (0.46) JAK2NTRK1
SCHEMBL15906074 0.78 JAK2 (0.55) JAK2NTRK1MAPK14
SCHEMBL4301490 0.76 JAK2 (0.56) JAK2NTRK1MAPK14CCNKCDK12
SCHEMBL18812935 0.76 JAK2 (0.56) JAK2NTRK1MAPK14CCNKCDK12
SCHEMBL4106214 0.75 JAK2 (0.53) JAK2NTRK1MAPK14CCNKCDK12
SCHEMBL949127 0.73 NTRK1 (0.41) JAK2NTRK1
SCHEMBL945616 0.69 NTRK1 (1.00) JAK2NTRK1
SCHEMBL19547403 0.66 JAK2 (0.83) JAK2NTRK1
SCHEMBL4306726 0.66 MAPK14 (0.45) JAK2NTRK1MAPK14CCNKCDK12
SCHEMBL30009510 0.66 NTRK1 (1.00) JAK2NTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451812-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2012-05-16 — — EP disclosed
WO-2011006074-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-01-13 — — WO disclosed
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