SCHEMBL3847192

SCHEMBL3847192

N#Cc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccc(CN5CCCC5)s4)n3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.36
AKT2 P31751 2/20 0.36
MKNK1 Q9BUB5 5/20 0.36
MKNK2 Q9HBH9 5/20 0.36
EIF4E P06730 1/20 0.35
SRC P12931 2/20 0.34
KCNK3 O14649 2/20 0.34
KCNK9 Q9NPC2 2/20 0.34
SLC2A1 P11166 2/20 0.34
FLT3 P36888 5/20 0.34
NTRK1 P04629 2/20 0.34
NTRK3 Q16288 2/20 0.34
NTRK2 Q16620 2/20 0.34
JAK2 O60674 1/20 0.34
ABL1 P00519 1/20 0.34
INSR P06213 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34
RET P07949 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
SCHEMBL4713756 0.90 FLT3 (0.41) AKT1AKT2MKNK1MKNK2SRC
SCHEMBL3872041 0.85 MKNK1 (0.36) AKT1AKT2MKNK1MKNK2EIF4E
SCHEMBL3847151 0.81 FLT3 (0.41) AKT1AKT2MKNK1MKNK2EIF4E
SCHEMBL3846573 0.79 MKNK1 (0.46) MKNK1MKNK2EIF4ESLC2A1FLT3
SCHEMBL3845957 0.78 FLT3 (0.41) AKT1AKT2MKNK1MKNK2EIF4E
SCHEMBL3873971 0.76 GRM2 (0.35) AKT1AKT2MKNK1MKNK2FLT3
SCHEMBL3848269 0.75 KCNH2 (0.48) AKT1AKT2MKNK1MKNK2EIF4E
SCHEMBL3844882 0.75 MKNK1 (0.46) AKT1AKT2MKNK1MKNK2EIF4E
SCHEMBL3872044 0.75 MKNK1 (0.32) AKT1AKT2MKNK1MKNK2EIF4E
SCHEMBL3865934 0.74 MKNK1 (0.40) AKT1AKT2MKNK1MKNK2EIF4E

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