SCHEMBL22688715

SCHEMBL22688715

CCOC(=O)c1cnn2ccc(NC(C)c3cc(F)cc4c3OC(CCNC(=O)OC(C)(C)C)C4)nc12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 19/20 0.40
▸ NTRK3 Q16288 8/20 0.38
▸ NTRK2 Q16620 8/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35

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
SCHEMBL22688714 1.00 NTRK1 (0.40) NTRK1NTRK3NTRK2JAK2ADORA3
SCHEMBL29422685 0.93 NTRK1 (0.42) NTRK1NTRK3NTRK2JAK2
SCHEMBL29797171 0.89 NTRK1 (0.42) NTRK1NTRK3NTRK2
SCHEMBL22688882 0.88 NTRK1 (0.42) NTRK1NTRK3NTRK2
SCHEMBL22688879 0.88 NTRK1 (0.42) NTRK1NTRK3NTRK2
SCHEMBL29422676 0.87 NTRK1 (0.40) NTRK1NTRK3NTRK2
SCHEMBL29422764 0.86 NTRK1 (0.38) NTRK1NTRK3NTRK2JAK2ADORA3
SCHEMBL22695326 0.86 NTRK1 (0.38) NTRK1NTRK3NTRK2JAK2ADORA3
SCHEMBL29422547 0.86 NTRK1 (0.38) NTRK1NTRK3NTRK2JAK2ADORA3
SCHEMBL22689129 0.86 NTRK1 (0.38) NTRK1NTRK3NTRK2JAK2

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
WO-2020233645-A1 MACROLIDE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF 浙江海正药业股份有限公司 (CN) 2020-11-26 — — WO disclosed
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