SCHEMBL4004493

SCHEMBL4004493

O=c1oc2ccccc2n1-c1ccc(Br)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.43
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RX3 P56373 7/20 0.38
P2RX2 Q9UBL9 7/20 0.38
MIF P14174 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
IDO1 P14902 3/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL4622801 0.76 TNKS (0.55) TNKSTSHRMAPK1HPGDUSP2
SCHEMBL15289179 0.73 ALDH1A1 (0.56) TNKSTSHRMAPK1HPGDUSP2
SCHEMBL16231487 0.73 KDM4E (0.50) ALDH1A1CHRNB2CHRNA4POLB
SCHEMBL14580062 0.72 TNKS (0.49) TNKSTSHRMAPK1HPGDUSP2
SCHEMBL30615432 0.71 AURKA (0.48) TNKSLMNA
SCHEMBL21464135 0.71 AURKA (0.48) TNKSLMNA
SCHEMBL16455992 0.70 TNKS (0.50) TNKSTSHRMAPK1HPGDUSP2
SCHEMBL16456377 0.70 MAPK1 (0.50) TNKSTSHRMAPK1HPGDUSP2
SCHEMBL1269528 0.70 MKNK1 (0.41) TNKSTSHRMAPK1HPGDUSP2
SCHEMBL11298609 0.69 MKNK1 (0.48) TSHRMAPK1HPGDUSP2ALDH1A1

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
WO-2009078992-A1 LINEAR TRICYCLIC COMPOUNDS AS P38 KINASE INHIBITORS AMGEN INC. (US) 2009-06-25 WO disclosed