SCHEMBL3872044

SCHEMBL3872044

N#Cc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)C3C=CC=CC3)cc2-c2ccc3ncc(-c4ccc(CN5CCC[C@H]5C(N)=O)s4)n3c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.32
MKNK2 Q9HBH9 2/20 0.32
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
EIF4E P06730 1/20 0.31
KCNK3 O14649 2/20 0.31
KCNK9 Q9NPC2 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL3873973 0.93 GRM2 (0.32) POLB
SCHEMBL3877558 0.89 MKNK1 (0.34) MKNK1MKNK2EIF4EPOLB
SCHEMBL3872041 0.89 MKNK1 (0.36) MKNK1MKNK2AKT1AKT2EIF4E
SCHEMBL3867613 0.88 POLB (0.32) POLB
SCHEMBL3847153 0.82 FLT3 (0.35) MKNK1MKNK2AKT1AKT2
SCHEMBL3873971 0.81 GRM2 (0.35) MKNK1MKNK2AKT1AKT2POLB
SCHEMBL3844884 0.81 MKNK1 (0.41) MKNK1MKNK2AKT1AKT2EIF4E
Hydrochloric Acid SCHEMBL3898047 0.79 MKNK1 (0.38) MKNK1MKNK2AKT1AKT2EIF4E
SCHEMBL3865937 0.79 MKNK1 (0.35) MKNK1MKNK2AKT1AKT2EIF4E
SCHEMBL3871902 0.77 PIK3CA (0.37) MKNK1MKNK2EIF4E

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