SCHEMBL7200730

SCHEMBL7200730

CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccccc3O)nc(Nc3ccccc3)c2CN)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 2/20 0.43
SMARCA4 P51532 2/20 0.43
PBRM1 Q86U86 2/20 0.43
USP30 Q70CQ3 2/20 0.43
JAK2 O60674 6/20 0.41
JAK1 P23458 6/20 0.41
TRPV3 Q8NET8 1/20 0.41
PRMT5 O14744 2/20 0.40
IKBKB O14920 2/20 0.40
HPGDS O60760 1/20 0.40
ACKR3 P25106 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39

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 0.87 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1USP30JAK2
SCHEMBL7170729 0.86 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1USP30JAK2
SCHEMBL4947268 0.82 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1USP30JAK2
SCHEMBL14046478 0.81 SMARCA2 (0.45) SMARCA2SMARCA4PBRM1USP30TRPV3
SCHEMBL7015204 0.80 SMARCA2 (0.49) SMARCA2SMARCA4PBRM1USP30JAK2
SCHEMBL14028507 0.80 SMARCA2 (0.49) SMARCA2SMARCA4PBRM1USP30JAK2
SCHEMBL14046508 0.80 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1USP30JAK2
SCHEMBL4947805 0.79 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1USP30JAK2
SCHEMBL14028510 0.79 SMARCA2 (0.53) SMARCA2SMARCA4PBRM1USP30JAK2
SCHEMBL4946284 0.78 IKBKB (0.50) SMARCA2SMARCA4PBRM1USP30TRPV3

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