SCHEMBL29088902

SCHEMBL29088902

CCCC(=O)Oc1ncc(F)cc1C1CCCN1c1ccn2ncc(N)c2n1.[LiH]

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.59
JAK2 O60674 17/20 0.59
JAK1 P23458 1/20 0.55

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
SCHEMBL30512191 0.99 NTRK1 (0.60) NTRK1JAK2JAK1
SCHEMBL30823617 0.84 NTRK1 (0.71) NTRK1JAK2JAK1
SCHEMBL21510310 0.84 NTRK1 (0.71) NTRK1JAK2JAK1
SCHEMBL21510314 0.83 NTRK1 (0.62) NTRK1JAK2JAK1
SCHEMBL21510312 0.83 NTRK1 (0.62) NTRK1JAK2JAK1
SCHEMBL23368767 0.81 NTRK1 (0.60) NTRK1JAK2JAK1
SCHEMBL23368574 0.81 NTRK1 (0.57) NTRK1JAK2
SCHEMBL23473897 0.80 NTRK1 (0.62) NTRK1JAK2
SCHEMBL23473895 0.78 NTRK1 (0.64) NTRK1JAK2
SCHEMBL19547508 0.78 NTRK1 (0.71) NTRK1JAK2JAK1

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
CN-110156813-B Heterocyclic compounds as TRK inhibitors 北京诺诚健华医药科技有限公司 2023-07-25 CN disclosed