SCHEMBL6968638

SCHEMBL6968638

COc1ccc(-c2cc(C3CCNCC3)nc(N)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
DYRK1A Q13627 1/20 0.57
HRH4 Q9H3N8 2/20 0.55
KDM4E B2RXH2 3/20 0.51
HRH2 P25021 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CDK8 P49336 1/20 0.44
CDK19 Q9BWU1 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
UBE2N P61088 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL6979605 0.82 DRD2 (0.59) HRH4KDM4EHRH3CDK1CDK2
SCHEMBL6981381 0.82 HRH4 (0.62) KMT2AMEN1HRH4KDM4EHRH3
SCHEMBL6968922 0.81 HRH4 (0.51) KMT2AMEN1HRH4KDM4EHRH2
SCHEMBL30996779 0.75 DYRK1A (0.73) KMT2AMEN1DYRK1AHRH4KDM4E
SCHEMBL6978719 0.74 MEN1 (0.49) KMT2AMEN1DYRK1AKDM4EHRH2
SCHEMBL18014629 0.74 HRH4 (0.49) KMT2AMEN1HRH4HRH3CDK1
SCHEMBL6974760 0.74 MAP3K12 (0.55) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL25299483 0.74 DYRK1A (0.71) DYRK1AHRH4KDM4EHRH2HRH3
SCHEMBL1388722 0.74 DYRK1A (1.00) DYRK1AHRH4KDM4EHRH2HRH3
SCHEMBL311158 0.73 KMT2A (0.56) KMT2AMEN1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892795-B1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2003-01-08 EP disclosed
US-5948786-A BLOCKING TUMOR NECROSIS FACTOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-07 US disclosed
EP-0892795-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-01-27 EP disclosed
WO-1997038992-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-23 WO disclosed