SCHEMBL3871902

SCHEMBL3871902

Cc1nn(C(c2ccccc2)(c2ccccc2)C2C=CC=CC2)cc1-c1ccc2ncc(-c3ccc(C(=O)N4CCC[C@H]4C(N)=O)s3)n2c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.37
MKNK1 Q9BUB5 5/20 0.35
MKNK2 Q9HBH9 5/20 0.35
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
EIF4E P06730 3/20 0.31
TGFBR1 P36897 3/20 0.31
FLT3 P36888 1/20 0.30
NEK2 P51955 1/20 0.30
KCNH2 Q12809 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
SCHEMBL3877558 0.88 MKNK1 (0.34) MKNK1MKNK2EIF4E
SCHEMBL3871263 0.88 PIK3CA (0.41) PIK3CAMKNK1MKNK2PIK3CDPIK3CB
SCHEMBL3865937 0.83 MKNK1 (0.35) MKNK1MKNK2EIF4E
SCHEMBL3850042 0.80 FLT3 (0.38) MKNK1MKNK2FLT3KCNH2
SCHEMBL3867613 0.80 POLB (0.32)
SCHEMBL3846605 0.79 TGFBR1 (0.37) TGFBR1FLT3NEK2
SCHEMBL3873973 0.79 GRM2 (0.32) TGFBR1FLT3
SCHEMBL3846575 0.78 MKNK1 (0.39) PIK3CAMKNK1MKNK2EIF4ETGFBR1
SCHEMBL3872044 0.77 MKNK1 (0.32) MKNK1MKNK2EIF4E
SCHEMBL3855941 0.77 FLT3 (0.37) MKNK1MKNK2TGFBR1FLT3NEK2

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 3 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
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