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SCHEMBL25819237

SCHEMBL25819237

Fc1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 17/20 1.00
▸ NTRK3 Q16288 3/20 0.79
▸ NTRK2 Q16620 3/20 0.79
▸ CYP1A2 P05177 1/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ CYP2C9 P11712 1/20 0.72
▸ CYP2C19 P33261 1/20 0.72
▸ PLK4 O00444 1/20 0.61

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
SCHEMBL25819204 0.94 NTRK1 (1.00) NTRK1NTRK3NTRK2CYP1A2CYP2D6
SCHEMBL25819112 0.93 NTRK1 (1.00) NTRK1NTRK3NTRK2CYP1A2CYP2D6
SCHEMBL25819257 0.90 NTRK1 (1.00) NTRK1NTRK3NTRK2CYP1A2CYP2D6
SCHEMBL25819289 0.89 NTRK1 (1.00) NTRK1NTRK3NTRK2CYP1A2CYP2D6
SCHEMBL25819015 0.88 NTRK1 (1.00) NTRK1NTRK3NTRK2CYP1A2CYP2D6
SCHEMBL25819082 0.88 NTRK1 (0.88) NTRK1NTRK3NTRK2CYP1A2CYP2D6
SCHEMBL30482749 0.86 NTRK1 (0.76) NTRK1NTRK3NTRK2
SCHEMBL25819133 0.86 NTRK1 (1.00) NTRK1NTRK3NTRK2CYP1A2CYP2D6
SCHEMBL25819224 0.85 NTRK1 (1.00) NTRK1NTRK3NTRK2PLK4
SCHEMBL25819161 0.84 NTRK1 (1.00) NTRK1NTRK3NTRK2CYP1A2CYP2D6

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