SCHEMBL3771555

SCHEMBL3771555

COCCOc1cc(F)cc([C@H]2CCCN2c2ccnn2C2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.53
▸ NTRK1 P04629 14/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL3771559 1.00 JAK2 (0.53) JAK2NTRK1HRH3
SCHEMBL30010557 1.00 JAK2 (0.53) JAK2NTRK1HRH3
SCHEMBL4105087 0.77 JAK2 (0.50) JAK2NTRK1
SCHEMBL22382687 0.76 JAK2 (0.50) JAK2NTRK1
SCHEMBL4106164 0.74 JAK2 (0.50) JAK2NTRK1HRH3
SCHEMBL932823 0.70 NTRK1 (0.88) JAK2NTRK1
SCHEMBL932821 0.70 NTRK1 (0.88) JAK2NTRK1
SCHEMBL948131 0.70 JAK2 (0.46) JAK2NTRK1
SCHEMBL949026 0.69 NTRK1 (0.48) JAK2NTRK1
SCHEMBL2693603 0.69 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
CN-110003214-B Substituted pyrazolo [1,5-a ] pyrimidine compounds as TRK kinase inhibitors 阵列生物制药公司 2021-12-21 — — CN disclosed
EP-2451812-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2012-05-16 — — EP disclosed
Send feedback