SCHEMBL17364449

SCHEMBL17364449

COc1ccc(Nc2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
NPC1 O15118 1/20 0.71
KIF11 P52732 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPK1 P28482 3/20 0.56
LMNA P02545 1/20 0.56
APP P05067 1/20 0.51
IDH2 P48735 2/20 0.50
EGFR P00533 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
CDK2 P24941 1/20 0.49
GSK3B P49841 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAK O14976 1/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
KDR P35968 1/20 0.48

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
SCHEMBL23674491 0.82 MAPT (0.57) MAPTNPC1KIF11MAPK1LMNA
SCHEMBL18827487 0.81 KIF11 (0.66) MAPTNPC1KIF11KMT2AMAPK1
SCHEMBL17364441 0.80 MEN1 (0.55) MAPTNPC1MEN1KMT2AMAPK1
SCHEMBL23634792 0.80 KIF11 (0.63) MAPTKIF11MEN1KMT2AAPP
SCHEMBL22864104 0.79 AKR1C3 (0.61) MAPTKIF11MEN1KMT2AMAPK1
SCHEMBL14149250 0.78 KIF11 (0.61) MAPTKIF11LMNAAPPIDH2
SCHEMBL14127702 0.78 KMT2A (0.55) MAPTNPC1MEN1KMT2ALMNA
SCHEMBL29636514 0.78 KMT2A (0.55) MAPTNPC1MEN1KMT2ALMNA
SCHEMBL9069757 0.78 APP (0.71) MAPTNPC1KIF11KMT2AMAPK1
SCHEMBL27116137 0.78 GSK3B (0.65) MAPTNPC1MAPK1LMNACDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11714080-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-08-01 US disclosed
US-11692998-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-07-04 US disclosed
US-10018619-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2018-07-10 US disclosed
US-20170191986-A1 Compounds and Method of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HMI Medical Innovations, LLC 2017-07-06 US disclosed
US-9645137-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2017-05-09 US disclosed
US-20160153965-A1 Compounds and Method of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HMI Medical Innovations, LLC 2016-06-02 US disclosed
US-9222933-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2015-12-29 US disclosed