SCHEMBL1687540

SCHEMBL1687540

O=c1nc2[nH]c3ccccc3n2c2cccc(Br)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
FEN1 P39748 1/20 0.39
CDC25B P30305 1/20 0.38
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CAMK2B Q13554 1/20 0.37
CAMK2G Q13555 1/20 0.37
CAMK2D Q13557 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37

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
SCHEMBL31170931 0.77 CDC25B (0.49) KDM4ECDC25BNPSR1RXFP1PDE2A
SCHEMBL824371 0.77 CDC25B (0.49) KDM4ECDC25BNPSR1RXFP1PDE2A
SCHEMBL1687672 0.75 SMARCA2 (0.39) SMARCA2SMARCA4FEN1
SCHEMBL18934625 0.74 KDM4E (0.38) KDM4ENPSR1PDE2APDE6DPDE8A
SCHEMBL1698065 0.70 KDM4E (0.53) KDM4ENPSR1ALDH1A1HPGDMAPT
SCHEMBL31170879 0.69 ADRA1A (0.32) KDM4E
SCHEMBL18463241 0.68 AURKA (0.48) KDM4ECDC25BPDE2APDE10AALDH1A1
SCHEMBL18463374 0.68 AURKA (0.45) KDM4ECDC25BALDH1A1HPGDMAPT
SCHEMBL18934521 0.68 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTPKM
SCHEMBL18721297 0.67 AURKA (0.49) KDM4EPDE2APDE6DPDE8APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9425409-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-08-23 US disclosed
US-9425409-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-08-23 US disclosed
US-20130207048-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2013-08-15 US disclosed
US-20130207048-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2013-08-15 US disclosed
WO-2012045384-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-04-12 WO disclosed