SCHEMBL14339702

SCHEMBL14339702

COCc1c(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2ccccc2C)nc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 0.43
SMARCA2 P51531 2/20 0.41
SMARCA4 P51532 2/20 0.41
PBRM1 Q86U86 2/20 0.41
PRMT5 O14744 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPV3 Q8NET8 1/20 0.41
IKBKB O14920 1/20 0.40
HPGDS O60760 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
PROKR1 Q8TCW9 2/20 0.38
KAT7 O95251 1/20 0.38
KAT8 Q9H7Z6 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
SCHEMBL14028507 0.92 SMARCA2 (0.49) ALOX5APFEN1SMARCA2SMARCA4PBRM1
SCHEMBL14339609 0.88 SMARCA2 (0.45) ALOX5APFEN1SMARCA2SMARCA4PBRM1
SCHEMBL4942358 0.84 SMARCA2 (0.51) ALOX5APFEN1SMARCA2SMARCA4PBRM1
SCHEMBL4947268 0.84 SMARCA2 (0.51) ALOX5APFEN1SMARCA2SMARCA4PBRM1
SCHEMBL7015204 0.82 SMARCA2 (0.49) ALOX5APFEN1SMARCA2SMARCA4PBRM1
SCHEMBL14028510 0.81 SMARCA2 (0.53) ALOX5APFEN1SMARCA2SMARCA4PBRM1
SCHEMBL4944352 0.81 IKBKB (0.52) SMARCA2SMARCA4PBRM1IKBKBPROKR1
SCHEMBL4939836 0.80 PRMT5 (0.47) ALOX5APFEN1SMARCA2SMARCA4PBRM1
SCHEMBL14046508 0.80 SMARCA2 (0.54) ALOX5APFEN1SMARCA2SMARCA4PBRM1
SCHEMBL14339652 0.79 PRMT5 (0.41) ALOX5APFEN1SMARCA2SMARCA4PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 EP disclosed