SCHEMBL3668968

SCHEMBL3668968

CC(C)(C)OC(=O)n1nc(Br)c2c(-c3ccccc3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.44
UCHL1 P09936 1/20 0.36
NR1H2 P55055 6/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
BACE1 P56817 2/20 0.35
NR1H3 Q13133 1/20 0.34
USP30 Q70CQ3 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
BCHE P06276 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34

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
SCHEMBL2674135 0.78 MAP2K4 (0.44) MAP2K4NR1H2BCHEKDM4EALDH1A1
SCHEMBL421224 0.77 KDR (0.41) MAP2K4NR1H2SRCNR1H3ALDH1A1
SCHEMBL29967811 0.75 MAP2K4 (0.44) MAP2K4NR1H2ALDH1A1SMARCA2SMARCA4
SCHEMBL28871230 0.75 MAP2K4 (0.44) MAP2K4NR1H2ALDH1A1SMARCA2SMARCA4
SCHEMBL16724831 0.73 MAP2K4 (0.39) MAP2K4UCHL1NR1H2BCHEKDM4E
SCHEMBL28164583 0.72 MAP2K4 (0.43) MAP2K4UCHL1NR1H2NR1H3BCHE
SCHEMBL2361004 0.72 POLB (0.41) MAP2K4NR1H2BCHEKDM4EALDH1A1
SCHEMBL29640143 0.72 POLB (0.41) MAP2K4NR1H2BCHEKDM4EALDH1A1
SCHEMBL28298923 0.72 MAP2K4 (0.38) MAP2K4UCHL1NR1H2CNR2BCHE
SCHEMBL31362222 0.71 ELANE (0.38) MAP2K4UCHL1NR1H2NR1H3BCHE

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-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 WO disclosed