SCHEMBL3846575

SCHEMBL3846575

Cc1nn(C(c2ccccc2)(c2ccccc2)C2C=CC=CC2)cc1-c1ccc2ncc(-c3ccc(CN4CCOCC4)s3)n2c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.39
MKNK2 Q9HBH9 4/20 0.39
EIF4E P06730 1/20 0.34
SLC2A1 P11166 11/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
FLT3 P36888 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TGFBR1 P36897 1/20 0.31

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
SCHEMBL3865937 0.89 MKNK1 (0.35) MKNK1MKNK2EIF4E
SCHEMBL3846573 0.86 MKNK1 (0.46) MKNK1MKNK2EIF4ESLC2A1PIK3CA
SCHEMBL3877558 0.84 MKNK1 (0.34) MKNK1MKNK2EIF4E
SCHEMBL3850042 0.83 FLT3 (0.38) MKNK1MKNK2FLT3
SCHEMBL3848394 0.79 FLT3 (0.30) FLT3
SCHEMBL3850996 0.79 FLT3 (0.32) MKNK1MKNK2FLT3
SCHEMBL3852870 0.78 TGFBR1 (0.32) TGFBR1
SCHEMBL3871902 0.78 PIK3CA (0.37) MKNK1MKNK2EIF4EPIK3CAFLT3
SCHEMBL3846970 0.76 KCNH2 (0.36) PIK3CAMTORFLT3TGFBR1
SCHEMBL3867613 0.76 POLB (0.32)

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