SCHEMBL3848485

SCHEMBL3848485

Cc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CCNE1 P24864 3/20 0.38
CDK2 P24941 3/20 0.38
CNR1 P21554 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
AURKA O14965 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 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
SCHEMBL519563 0.89 KDM4E (0.36) MEN1KMT2AMAPK1KDM4EUSP2
SCHEMBL3849213 0.85 CYP3A4 (0.36) MEN1KMT2AKDM4EATMTDP1
SCHEMBL3846787 0.85 POLB (0.39) MEN1KMT2AMAPK1KDM4ECCNE1
SCHEMBL3846098 0.85 GAA (0.39) MEN1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL3845601 0.85 ALDH1A1 (0.39) MEN1KMT2AMAPK1KDM4EL3MBTL1
SCHEMBL3850096 0.85 PTGS2 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3846485 0.85 RAB9A (0.45) MEN1KMT2AKDM4EATML3MBTL1
SCHEMBL3852882 0.84 KIF11 (0.43) MEN1KMT2AMAPK1KDM4ENPC1
SCHEMBL4717109 0.81 MAP2K4 (0.42) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL3846801 0.80 KMT2A (0.40) MEN1KMT2AMAPK1KDM4EUSP2

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