SCHEMBL7170729

SCHEMBL7170729

CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccccc3O)nc([AsH2])c2CN)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 2/20 0.46
SMARCA4 P51532 2/20 0.46
PBRM1 Q86U86 2/20 0.46
IKBKB O14920 1/20 0.43
TRPV3 Q8NET8 1/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
HPGDS O60760 1/20 0.41
PRMT5 O14744 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
USP30 Q70CQ3 3/20 0.39
ACKR3 P25106 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL4942358 0.90 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1IKBKBTRPV3
SCHEMBL7200730 0.86 SMARCA2 (0.43) SMARCA2SMARCA4PBRM1IKBKBTRPV3
SCHEMBL4947268 0.85 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1IKBKBTRPV3
SCHEMBL7015204 0.84 SMARCA2 (0.49) SMARCA2SMARCA4PBRM1IKBKBTRPV3
SCHEMBL14028507 0.84 SMARCA2 (0.49) SMARCA2SMARCA4PBRM1IKBKBTRPV3
SCHEMBL14046508 0.83 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1IKBKBTRPV3
SCHEMBL14028510 0.82 SMARCA2 (0.53) SMARCA2SMARCA4PBRM1IKBKBTRPV3
SCHEMBL4947972 0.81 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1IKBKBTRPV3
SCHEMBL4938233 0.81 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1IKBKBTRPV3
SCHEMBL4947201 0.81 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1IKBKBTRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326856-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY Bayer Aktiengesellschaft (DE) 2003-07-16 EP disclosed
WO-2002024679-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-β) INHIBITING ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO disclosed