SCHEMBL28505375

SCHEMBL28505375

C=CCNC(=O)Nc1ccc(Nc2ncnc3c2OC(C)(C)C(=O)N3)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NTRK3 Q16288 20/20 0.65
▸ NTRK1 P04629 19/20 0.65
▸ NTRK2 Q16620 19/20 0.65
▸ FES P07332 1/20 0.44
▸ EPHA8 P29322 1/20 0.44
▸ FRK P42685 1/20 0.44
▸ NR2C2 P49116 1/20 0.44
▸ TYRO3 Q06418 1/20 0.44
▸ DDR1 Q08345 1/20 0.44
▸ MERTK Q12866 1/20 0.44

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
SCHEMBL28501624 0.82 NTRK3 (0.71) NTRK3NTRK1NTRK2FESEPHA8
SCHEMBL28511513 0.81 NTRK3 (0.68) NTRK3NTRK1NTRK2
SCHEMBL28505742 0.80 NTRK3 (0.73) NTRK3NTRK1NTRK2FESEPHA8
SCHEMBL28960370 0.78 NTRK3 (1.00) NTRK3NTRK1NTRK2
SCHEMBL28503859 0.77 NTRK3 (0.63) NTRK3NTRK1NTRK2FESEPHA8
SCHEMBL28514347 0.76 NTRK3 (1.00) NTRK3NTRK1NTRK2FRKMERTK
SCHEMBL30492102 0.74 NTRK3 (0.57) NTRK3NTRK1NTRK2
SCHEMBL28505374 0.74 NTRK3 (0.71) NTRK3NTRK1NTRK2
SCHEMBL28511507 0.69 NTRK3 (0.85) NTRK3NTRK1NTRK2FRKMERTK
SCHEMBL28503848 0.67 NTRK1 (0.80) NTRK3NTRK1NTRK2FRKMERTK

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-112225748-B Small molecule compound with FLT3 kinase inhibitory activity and application thereof 四川大学华西医院 2021-11-30 — — CN disclosed
CN-112225748-A Small molecule compound with FLT3 kinase inhibitory activity and application thereof 四川大学华西医院 2021-01-15 — — CN disclosed
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