SCHEMBL3845907

SCHEMBL3845907

COc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2B(O)O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
MITF O75030 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.39
ALOX12 P18054 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3848108 0.84 MEN1 (0.46) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3850830 0.83 L3MBTL1 (0.46) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL519708 0.82 KDM4E (0.33) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3854864 0.81 KCNN4 (0.33) KMT2AMEN1NPC1RAB9A
SCHEMBL3848389 0.80 KDR (0.37) KMT2AMEN1L3MBTL1LMNAFYN
SCHEMBL3846801 0.80 KMT2A (0.40) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3846711 0.79 KDM4E (0.37) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3847281 0.79 POLB (0.39) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3853768 0.78 HSD17B1 (0.41) LMNAFYNNPC1
SCHEMBL3847801 0.78 KIF11 (0.40) KDM4EALDH1A1KMT2AMEN1TSHR

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