SCHEMBL23368574

SCHEMBL23368574

C[C@@H](CN)Oc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(N)c2n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.57
JAK2 O60674 18/20 0.57

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
SCHEMBL21510314 0.87 NTRK1 (0.62) NTRK1JAK2
SCHEMBL21510312 0.87 NTRK1 (0.62) NTRK1JAK2
SCHEMBL30823617 0.87 NTRK1 (0.71) NTRK1JAK2
SCHEMBL21510310 0.87 NTRK1 (0.71) NTRK1JAK2
SCHEMBL23355213 0.86 NTRK1 (0.46) NTRK1JAK2
SCHEMBL23355211 0.86 NTRK1 (0.46) NTRK1JAK2
SCHEMBL23368767 0.83 NTRK1 (0.60) NTRK1JAK2
SCHEMBL30512191 0.81 NTRK1 (0.60) NTRK1JAK2
SCHEMBL29088902 0.81 NTRK1 (0.59) NTRK1JAK2
SCHEMBL23473897 0.80 NTRK1 (0.62) 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-3822276-A1 HETEROCYCLIC COMPOUND AS TRK INHIBITOR Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2021-05-19 EP disclosed