SCHEMBL6976878

SCHEMBL6976878

COc1ccc(Cc2cc(C3CCN(C(=O)c4ccccc4)CC3)nc(N)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
CDK1 P06493 2/20 0.49
IGF1R P08069 2/20 0.49
FGFR1 P11362 2/20 0.49
BRAF P15056 2/20 0.49
FGFR2 P21802 2/20 0.49
FGFR4 P22455 2/20 0.49
FGFR3 P22607 2/20 0.49
JAK1 P23458 2/20 0.49
CDK2 P24941 2/20 0.49
AXL P30530 2/20 0.49
CDK5 Q00535 2/20 0.49
PTK2B Q14289 2/20 0.49
LMNA P02545 3/20 0.48
BACE1 P56817 2/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 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
SCHEMBL6973351 0.88 DRD2 (0.52) CDK1IGF1RFGFR1BRAFFGFR2
SCHEMBL6976438 0.88 NPC1 (0.45) HSD11B1LMNAKMT2AGAAHTR2B
SCHEMBL6972446 0.87 HSD17B10 (0.48) HSD11B1LMNAALDH1A1RAB9AHPGD
SCHEMBL6981137 0.86 SMN1; SMN2 (0.54) CDK1IGF1RFGFR1BRAFFGFR2
SCHEMBL6972466 0.85 ALDH1A1 (0.44) LMNAALDH1A1KMT2AGAARAB9A
SCHEMBL6981142 0.85 GLA (0.55) MEN1KMT2A
SCHEMBL6974760 0.85 MAP3K12 (0.55) HSD11B1LMNABACE1ACHEALDH1A1
SCHEMBL7123772 0.85 SMN1; SMN2 (0.51) ALDH1A1KMT2ARAB9AHPGD
SCHEMBL6975639 0.81 MAP3K12 (0.49) LMNAACHEMEN1KMT2AMAP3K12
SCHEMBL6979916 0.78 ALDH1A1 (0.43) LMNAALDH1A1MEN1KMT2AHPGD

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