SCHEMBL4658013

SCHEMBL4658013

Cc1cn(-c2c(Cl)cc(Cl)cc2Cl)nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDR P35968 2/20 0.38
SRC P12931 1/20 0.38
BRAF P15056 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK4 P11802 6/20 0.37
CCND1 P24385 6/20 0.37
MAPK1 P28482 1/20 0.35
CCNE2 O96020 3/20 0.32
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31

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
SCHEMBL6974567 0.81 MEN1 (0.39) MEN1HPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL5344492 0.77 LMNA (0.46) KMT2AL3MBTL1
SCHEMBL7973868 0.73 MEN1 (0.33) MEN1HPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL16202074 0.71 CNR1 (0.47) MEN1KMT2ASMN1; SMN2
SCHEMBL16983104 0.70 MAPK14 (0.41) MEN1KMT2ACDK4CCND1
SCHEMBL16202077 0.70 NOTUM (0.48) L3MBTL1
SCHEMBL16202103 0.69 MAPT (0.47) MEN1HPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL14996591 0.68 CYP1A2 (0.44) MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL18831455 0.66 MEN1 (0.53) MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL20354130 0.65 SETDB1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 WO disclosed