SCHEMBL28938478

SCHEMBL28938478

Nc1c(F)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.63
▸ JAK2 O60674 7/20 0.62
▸ NTRK3 Q16288 1/20 0.58

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
SCHEMBL28938482 1.00 NTRK1 (0.63) NTRK1JAK2NTRK3
SCHEMBL20119480 0.86 NTRK1 (0.62) NTRK1JAK2NTRK3
SCHEMBL20119390 0.86 NTRK1 (0.62) NTRK1JAK2NTRK3
SCHEMBL20119343 0.85 NTRK1 (0.61) NTRK1JAK2NTRK3
SCHEMBL2241164 0.83 NTRK1 (0.74) NTRK1JAK2NTRK3
SCHEMBL29735068 0.83 NTRK1 (0.74) NTRK1JAK2NTRK3
SCHEMBL2241166 0.83 NTRK1 (0.74) NTRK1JAK2NTRK3
SCHEMBL23865306 0.83 NTRK1 (0.58) NTRK1JAK2NTRK3
SCHEMBL23865313 0.83 NTRK1 (0.58) NTRK1JAK2NTRK3
SCHEMBL21319490 0.83 NTRK1 (0.60) NTRK1JAK2NTRK3

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
CN-113563343-B Substituted pyrazolo [1,5-a ] pyrimidine compounds and uses thereof 杭州邦顺制药有限公司 2022-05-24 — — CN disclosed
CN-113563343-A Substituted pyrazolo [1,5-a ] pyrimidine compounds and uses thereof 杭州邦顺制药有限公司 2021-10-29 — — CN disclosed
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