SCHEMBL25818960

SCHEMBL25818960

Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3ccccc23)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 1.00
NTRK3 Q16288 5/20 0.85
NTRK2 Q16620 5/20 0.85

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
SCHEMBL25818941 0.92 NTRK1 (1.00) NTRK1NTRK3NTRK2
SCHEMBL25819192 0.92 NTRK1 (1.00) NTRK1NTRK3NTRK2
SCHEMBL25819071 0.92 NTRK1 (1.00) NTRK1NTRK3NTRK2
SCHEMBL25818933 0.92 NTRK1 (1.00) NTRK1NTRK3NTRK2
SCHEMBL25819041 0.90 NTRK1 (1.00) NTRK1NTRK3NTRK2
SCHEMBL25819153 0.89 NTRK1 (1.00) NTRK1NTRK3NTRK2
SCHEMBL25819266 0.89 NTRK1 (1.00) NTRK1NTRK3NTRK2
SCHEMBL25819035 0.88 NTRK1 (0.82) NTRK1NTRK3NTRK2
SCHEMBL12430662 0.87 NTRK1 (1.00) NTRK1NTRK3NTRK2
SCHEMBL25819224 0.87 NTRK1 (1.00) NTRK1NTRK3NTRK2

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-2023123883-A1 METHOD FOR PREPARING QUINAZOLINE DERIVATIVE AND ANALOG THEREOF AND USE THEREOF 沈阳药科大学 2023-07-06 WO disclosed