SCHEMBL29762483

SCHEMBL29762483

Nc1cc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
PIK3CA P42336 4/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NCF1 P14598 1/20 0.48
HTT P42858 1/20 0.45
MTOR P42345 2/20 0.45
MAP3K12 Q12852 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR2 P34972 1/20 0.43

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
SCHEMBL245771 1.00 MAPT (0.61) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL17204101 0.87 MAPT (0.61) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL20267260 0.83 MAPT (0.61) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL30068134 0.83 MAPT (0.61) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL29434160 0.82 MAPT (0.65) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL971891 0.82 MAPT (0.65) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL29434159 0.82 MAPT (0.65) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL14024999 0.82 MAPT (0.56) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL29713891 0.81 HRH4 (0.59) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL3634340 0.81 HRH4 (0.59) MAPTCYP1A2CYP2D6CRHBPCRHR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472968-A1 INHIBITORS OF RAF KINASES PIERRE FABRE MEDICAMENT (FR) 2024-12-11 EP disclosed
CN-118974036-A Inhibitors of RAF kinase 皮埃尔法布雷医药公司 2024-11-15 CN disclosed
CN-114845711-B Inhibitors of RAF kinase 皮埃尔法布雷医药公司 2024-10-01 CN disclosed
WO-2023150681-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2023-08-10 WO disclosed
CN-114845711-A Inhibitors of RAF kinase 金耐特生物制药公司 2022-08-02 CN disclosed