SCHEMBL3850830

SCHEMBL3850830

COc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2Br)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
KMT2A Q03164 4/20 0.44
PDE4A P27815 4/20 0.44
PDE4B Q07343 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 3/20 0.40
MAPK1 P28482 3/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL3846485 0.83 RAB9A (0.45) L3MBTL1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3845907 0.83 KDM4E (0.46) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL519563 0.79 KDM4E (0.36) L3MBTL1ALDH1A1KDM4EHPGDKMT2A
SCHEMBL3846335 0.79 KDR (0.38) L3MBTL1KMT2AMEN1MAPK1
SCHEMBL3848485 0.79 MEN1 (0.42) L3MBTL1ALDH1A1KDM4EHPGDKMT2A
SCHEMBL3847031 0.78 TRPA1 (0.36) KMT2AMEN1MAPTMAPK1USP2
SCHEMBL3849059 0.77 KDR (0.42) KMT2AMEN1LMNANPC1
SCHEMBL3846787 0.76 POLB (0.39) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3849213 0.76 CYP3A4 (0.36) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL3846098 0.76 GAA (0.39) L3MBTL1KDM4EKMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed