SCHEMBL3846801

SCHEMBL3846801

Cc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2B(O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CNR1 P21554 1/20 0.36
LMNA P02545 3/20 0.36
AURKA O14965 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 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
SCHEMBL519708 0.91 KDM4E (0.33) KMT2AMEN1KDM4EUSP2MAPK1
SCHEMBL3847281 0.88 POLB (0.39) KMT2AMEN1KDM4EMAPK1L3MBTL1
SCHEMBL3846711 0.88 KDM4E (0.37) KMT2AMEN1RAB9AKDM4ENPC1
SCHEMBL3847801 0.86 KIF11 (0.40) KMT2AMEN1RAB9AKDM4ENPC1
SCHEMBL3854383 0.85 NOX1 (0.36) KMT2AMEN1RAB9AKDM4ENPC1
SCHEMBL3848952 0.85 PTGS2 (0.38) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3848108 0.85 MEN1 (0.46) KMT2AMEN1RAB9AKDM4ENPC1
SCHEMBL3845762 0.84 PRKDC (0.36) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL3854864 0.82 KCNN4 (0.33) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL3847855 0.81 LMNA (0.40) RAB9AKDM4ENPC1MAPK1L3MBTL1

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