SCHEMBL22175158

SCHEMBL22175158

Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccn3ncc(N=C=S)c3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.58
JAK2 O60674 2/20 0.46
NTRK3 Q16288 1/20 0.45

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
SCHEMBL28422674 0.84 NTRK1 (0.68) NTRK1JAK2NTRK3
SCHEMBL29541946 0.84 NTRK1 (0.68) NTRK1JAK2NTRK3
SCHEMBL22175069 0.84 NTRK1 (0.68) NTRK1JAK2NTRK3
SCHEMBL18875082 0.83 NTRK1 (0.80) NTRK1JAK2NTRK3
SCHEMBL22175157 0.83 NTRK1 (0.61) NTRK1JAK2NTRK3
SCHEMBL29542542 0.83 NTRK1 (0.61) NTRK1JAK2NTRK3
SCHEMBL17820710 0.81 NTRK1 (0.65) NTRK1JAK2
SCHEMBL17820882 0.81 NTRK1 (0.65) NTRK1JAK2
SCHEMBL30151383 0.81 NTRK1 (0.65) NTRK1JAK2
SCHEMBL29618154 0.81 NTRK1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362946-A Pharmaceutical compound and composition and application thereof 上海度德医药科技有限公司 2020-07-03 CN disclosed
WO-2020135203-A1 PHARMACEUTICAL COMPOUND, COMPOSITION THEREOF, AND APPLICATION 上海度德医药科技有限公司 2020-07-02 WO disclosed