SCHEMBL6572637

SCHEMBL6572637

Cc1ccc(-c2c(C(C)(C)C)n[nH]c2N)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.41
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
PIK3CA P42336 3/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6632491 0.81 MKNK1 (0.40) PIK3CAPIK3CDPIK3CBPIK3CGPI4KA
SCHEMBL4412336 0.81 SMN1; SMN2 (0.42) KMT2AGAAPIK3CAPIK3CDPIK3CB
Hydrochloric Acid SCHEMBL6237738 0.80 SMN1; SMN2 (0.41) KMT2AGAAPIK3CAPIK3CDPIK3CB
SCHEMBL1012506 0.76 AKT2 (0.47) KMT2AGAANFKB1NFKB2RELA
SCHEMBL4898151 0.75 KDM4E (0.51) KMT2AGAANPC1RAB9AALDH1A1
SCHEMBL19459337 0.74 KIF11 (0.42) KMT2ANPC1RAB9AMITFALDH1A1
SCHEMBL7472539 0.72 USP7 (0.36) KMT2AMITFALDH1A1TP53GSK3B
SCHEMBL8490498 0.71 CCNE2 (0.44) KMT2AGAAPIK3CAPIK3CDPIK3CB
SCHEMBL1856970 0.69 HPGDS (0.42) HPGDSKMT2AGAAPRMT5WDR77
SCHEMBL12398412 0.69 LRRK2 (0.41) NPC1PKMRAB9AALDH1A1TP53

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-1480973-A1 1,4-DISUBSTITUTED BENZOFUSED CYCLOALKYL UREA COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-12-01 EP disclosed
EP-1408950-A2 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-04-21 EP disclosed
WO-2003072569-A1 1,4-DISUBSTITUTED BENZOFUSED CYCLOALKYL UREA COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-09-04 WO disclosed
WO-2003005999-A2 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-01-23 WO disclosed