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SCHEMBL25818913

SCHEMBL25818913

Cc1cc(Nc2nc(NCc3ccc(C(F)(F)F)cc3)nc3ccccc23)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 18/20 1.00
▸ NTRK3 Q16288 2/20 0.66
▸ NTRK2 Q16620 2/20 0.66
▸ GRK6 P43250 1/20 0.66
▸ AURKA O14965 1/20 0.63
▸ SRC P12931 1/20 0.63
▸ GSK3B P49841 1/20 0.63
▸ PLK4 O00444 1/20 0.60
▸ PAK4 O96013 1/20 0.60

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
SCHEMBL12430662 0.89 NTRK1 (1.00) NTRK1NTRK3NTRK2GRK6AURKA
SCHEMBL12430650 0.89 NTRK1 (0.89) NTRK1NTRK3NTRK2GRK6AURKA
SCHEMBL25818847 0.88 NTRK1 (1.00) NTRK1NTRK3NTRK2GRK6AURKA
SCHEMBL25818920 0.87 NTRK1 (1.00) NTRK1NTRK3NTRK2GRK6AURKA
SCHEMBL25818902 0.86 NTRK1 (1.00) NTRK1NTRK3NTRK2GRK6AURKA
SCHEMBL25818896 0.86 NTRK1 (1.00) NTRK1NTRK3NTRK2GRK6AURKA
SCHEMBL25818987 0.85 NTRK1 (1.00) NTRK1NTRK3NTRK2GRK6AURKA
SCHEMBL25818975 0.84 NTRK1 (1.00) NTRK1NTRK3NTRK2GRK6AURKA
SCHEMBL25818856 0.84 NTRK1 (0.80) NTRK1NTRK3NTRK2GRK6AURKA
SCHEMBL25818909 0.84 NTRK1 (1.00) NTRK1NTRK3NTRK2GRK6AURKA

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