SCHEMBL3846417

SCHEMBL3846417

O=C(c1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccccn4)n3c2)cc1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 18/20 0.53
MKNK2 Q9HBH9 18/20 0.53
EIF4E P06730 3/20 0.50
IRAK4 Q9NWZ3 1/20 0.45
TGFBR1 P36897 1/20 0.44

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
SCHEMBL3847342 0.88 MKNK1 (0.41) MKNK1MKNK2EIF4EIRAK4TGFBR1
SCHEMBL3851211 0.87 SLC2A1 (0.38) MKNK1MKNK2EIF4ETGFBR1
SCHEMBL3847225 0.87 TGFBR1 (0.43) MKNK1MKNK2TGFBR1
SCHEMBL3846419 0.86 MKNK1 (0.46) MKNK1MKNK2EIF4EIRAK4
SCHEMBL3846841 0.85 TGFBR1 (0.48) MKNK1MKNK2IRAK4TGFBR1
SCHEMBL3845039 0.84 TGFBR1 (0.46) TGFBR1
SCHEMBL4712454 0.84 TGFBR1 (0.39) TGFBR1
SCHEMBL3852272 0.83 TGFBR1 (0.41) MKNK1MKNK2TGFBR1
SCHEMBL3847555 0.82 MKNK1 (0.57) MKNK1MKNK2EIF4EIRAK4TGFBR1
SCHEMBL3848725 0.82 TGFBR1 (0.45) MKNK1TGFBR1

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