SCHEMBL19547341

SCHEMBL19547341

O=C(NC1CC1)Oc1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(OCCN4CCOCC4)c3)nc12

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.81
▸ JAK2 O60674 18/20 0.81

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
SCHEMBL19547514 0.90 NTRK1 (0.82) NTRK1JAK2
SCHEMBL2692949 0.89 NTRK1 (1.00) NTRK1JAK2
SCHEMBL30010121 0.89 NTRK1 (1.00) NTRK1JAK2
SCHEMBL2692944 0.89 NTRK1 (1.00) NTRK1JAK2
SCHEMBL19547476 0.88 NTRK1 (0.80) NTRK1JAK2
SCHEMBL19547385 0.88 NTRK1 (0.81) NTRK1JAK2
SCHEMBL2694614 0.86 NTRK1 (0.89) NTRK1JAK2
SCHEMBL946646 0.86 NTRK1 (0.89) NTRK1JAK2
SCHEMBL2692019 0.85 NTRK1 (1.00) NTRK1JAK2
Hydrochloric Acid SCHEMBL944966 0.85 NTRK1 (0.86) 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
EP-2451812-B1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2017-11-08 — — EP claimed
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