SCHEMBL6977642

SCHEMBL6977642

COc1ccc2nc(N)nc(C3CCN(C(=O)c4ccccc4)CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 9/20 0.57
HSD11B1 P28845 1/20 0.51
LMNA P02545 1/20 0.51
UBE2M P61081 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51
ALDH1A1 P00352 1/20 0.49
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
BACE1 P56817 2/20 0.48
HTR2B P41595 1/20 0.48
ACHE P22303 1/20 0.47

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
SCHEMBL6969338 0.84 MGLL (0.48) LMNAMEN1KMT2AACHE
SCHEMBL6976291 0.84 LMNA (0.55) LMNAUBE2MDCUN1D1ALDH1A1MEN1
SCHEMBL6978451 0.82 HSD11B1 (0.53) MAPK7HSD11B1LMNAALDH1A1MEN1
SCHEMBL6974760 0.78 MAP3K12 (0.55) HSD11B1LMNAUBE2MDCUN1D1ALDH1A1
SCHEMBL6981676 0.76 JUND (0.46) ALDH1A1MEN1KMT2AACHE
SCHEMBL6976878 0.75 HSD11B1 (0.51) HSD11B1LMNAUBE2MDCUN1D1ALDH1A1
SCHEMBL16628716 0.73 HSP90AA1 (0.77) LMNAALDH1A1KMT2A
SCHEMBL6968387 0.73 ALDH1A1 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL21339703 0.73 MAPK7 (0.83) MAPK7MEN1KMT2A
SCHEMBL21332392 0.73 MAPK7 (1.00) MAPK7

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