SCHEMBL28960370

SCHEMBL28960370

CC1(C)Oc2c(ncnc2Nc2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)NC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK3 Q16288 19/20 1.00
▸ NTRK1 P04629 18/20 1.00
▸ NTRK2 Q16620 18/20 1.00
▸ RET P07949 1/20 0.54

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
SCHEMBL28505742 0.84 NTRK3 (0.73) NTRK3NTRK1NTRK2
SCHEMBL28501624 0.83 NTRK3 (0.71) NTRK3NTRK1NTRK2
SCHEMBL28511513 0.81 NTRK3 (0.68) NTRK3NTRK1NTRK2RET
SCHEMBL28514347 0.80 NTRK3 (1.00) NTRK3NTRK1NTRK2RET
SCHEMBL28505375 0.78 NTRK3 (0.65) NTRK3NTRK1NTRK2
SCHEMBL28505374 0.78 NTRK3 (0.71) NTRK3NTRK1NTRK2
SCHEMBL28503859 0.77 NTRK3 (0.63) NTRK3NTRK1NTRK2RET
SCHEMBL28511507 0.73 NTRK3 (0.85) NTRK3NTRK1NTRK2RET
SCHEMBL30492102 0.73 NTRK3 (0.57) NTRK3NTRK1NTRK2
SCHEMBL28502718 0.72 NTRK1 (0.80) NTRK3NTRK1NTRK2RET

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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