SCHEMBL3871609

SCHEMBL3871609

NC(=O)C1CCN(Cc2ccc(-c3cnc4ccc(Br)cn34)s2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
ICAM1 P05362 1/20 0.36
EIF2AK4 Q9P2K8 3/20 0.36
MAP3K14 Q99558 1/20 0.36
LTA4H P09960 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL13874265 0.83 SRC (0.46) MKNK1MKNK2MAP3K14
SCHEMBL3868735 0.83 LMNA (0.40) LMNAMKNK1MKNK2EIF2AK4MAP3K14
SCHEMBL3847902 0.81 SLC2A1 (0.47) MKNK1MKNK2MAP3K14NPC1
Hydrochloric Acid SCHEMBL3872804 0.80 MKNK1 (0.41) MKNK1MKNK2ICAM1EIF2AK4NPC1
SCHEMBL3865934 0.76 MKNK1 (0.40) MKNK1MKNK2NPC1RAB9AALDH1A1
SCHEMBL13874263 0.74 MAP3K14 (0.45) MKNK1MKNK2MAP3K14
SCHEMBL3870713 0.73 PIK3CA (0.45) MKNK1MKNK2EIF2AK4MAP3K14ALDH1A1
SCHEMBL5363103 0.68 LMNA (0.52) KDM4ELMNAL3MBTL1LTA4HNPC1
SCHEMBL4592012 0.66 KDM4E (0.63) SMYD3KDM4ELMNAMAPK1HIF1A
SCHEMBL18291424 0.65 KDM4E (0.54) KDM4EICAM1LTA4HNPC1RAB9A

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