SCHEMBL5333764

SCHEMBL5333764

CNc1cc(-c2ccc(F)cc2)c2nc(Nc3cc(CN4CCN(C)CC4)ccn3)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.41
KDR P35968 11/20 0.41
GRM2 Q14416 1/20 0.40
MERTK Q12866 2/20 0.38
CHKA P35790 1/20 0.37
TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL5333804 0.92 DRD4 (0.40) KDRTBK1
SCHEMBL5329735 0.92 TNIK (0.41) TNIKKDRMERTKTBK1
SCHEMBL5312320 0.91 KDR (0.49) KDRGRM2TBK1
SCHEMBL5310432 0.91 KDR (0.49) KDRGRM2
SCHEMBL5334782 0.90 MERTK (0.43) KDRMERTK
SCHEMBL5311883 0.88 TNIK (0.45) TNIKKDRGRM2MERTK
SCHEMBL5313556 0.85 MERTK (0.38) KDRGRM2MERTKCHKA
SCHEMBL5312577 0.82 KDR (0.49) TNIKKDR
SCHEMBL5314023 0.81 KDR (0.47) KDRMERTK
SCHEMBL5309711 0.80 GRM2 (0.41) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO claimed
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed