SCHEMBL28995669

SCHEMBL28995669

CCc1cc(N)c(N)c(F)c1I

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL982821 0.74 POLB (0.36) POLBHTTALDH1A1MAPT
SCHEMBL24463145 0.73 CA1 (0.32) ALDH1A1
SCHEMBL30490178 0.73 CA1 (0.32) ALDH1A1
SCHEMBL15556916 0.72 HTT (0.39) POLBHTTNOS3NOS1NOS2
SCHEMBL28176866 0.70 HTT (0.41) POLBHTTNOS3NOS1NOS2
SCHEMBL832574 0.69 ALDH1A1 (0.43) POLBHTTNOS3NOS1NOS2
SCHEMBL29639033 0.69 PTK2 (0.44) POLBHTTNOS3NOS1NOS2
SCHEMBL5951845 0.69 PTK2 (0.44) POLBHTTNOS3NOS1NOS2
SCHEMBL31285294 0.68 MAPK14 (0.43) MAPT
SCHEMBL16868362 0.67 DPP4 (0.36) POLBHTTNOS3NOS1NOS2

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
CN-116057045-A Fibroblast growth factor receptor kinase inhibitors 金耐特生物制药公司 2023-05-02 CN disclosed