SCHEMBL5309404

SCHEMBL5309404

CC(=O)N1CCN(Cc2ccc(Nc3nc4ccc(NCc5ccc(F)cc5)nc4s3)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
PRKAA2 P54646 6/20 0.42
KDR P35968 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 2/20 0.40
DYRK2 Q92630 2/20 0.40
FAAH O00519 1/20 0.39

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
SCHEMBL5314669 0.91 BDKRB1 (0.43) MEN1KMT2AATMKDRDYRK2
SCHEMBL5310881 0.90 KDR (0.53) KDRKDM4EGAAMAPTALOX15
SCHEMBL5312081 0.85 MEN1 (0.41) MEN1KMT2AATMPRKAA2KDR
SCHEMBL5312929 0.83 KDR (0.42) PRKAA2KDRDYRK2FAAH
SCHEMBL5312795 0.83 KDR (0.42) PRKAA2KDRDYRK2FAAH
SCHEMBL5313051 0.82 KDR (0.46) KDRACHE
SCHEMBL5336891 0.82 KDR (0.55) KDRACHE
SCHEMBL5313599 0.82 KDR (0.52) KDRACHE
SCHEMBL5311424 0.81 KDR (0.53) MEN1KMT2AATMKDRACHE
SCHEMBL5379811 0.80 KDR (0.51) KDR

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