SCHEMBL3871263

SCHEMBL3871263

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.41
MKNK1 Q9BUB5 4/20 0.40
MKNK2 Q9HBH9 4/20 0.40
PIK3CD O00329 7/20 0.35
PIK3CG P48736 5/20 0.35
PIK3CB P42338 4/20 0.35
PI4KB Q9UBF8 1/20 0.35
TGFBR1 P36897 4/20 0.34
EIF4E P06730 1/20 0.34
FLT3 P36888 2/20 0.34
NEK2 P51955 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
SCHEMBL3871902 0.88 PIK3CA (0.37) PIK3CAMKNK1MKNK2PIK3CDPIK3CG
SCHEMBL3877554 0.86 MKNK1 (0.39) PIK3CAMKNK1MKNK2PIK3CDPIK3CG
Hydrochloric Acid SCHEMBL3879058 0.81 PIK3CA (0.44) PIK3CAMKNK1MKNK2PIK3CDPIK3CG
SCHEMBL3865934 0.80 MKNK1 (0.40) MKNK1MKNK2TGFBR1EIF4EFLT3
SCHEMBL3867609 0.76 POLB (0.36) PIK3CAMKNK1MKNK2
SCHEMBL3870713 0.76 PIK3CA (0.45) PIK3CAMKNK1MKNK2FLT3NEK2
SCHEMBL3873971 0.75 GRM2 (0.35) PIK3CAMKNK1MKNK2TGFBR1FLT3
SCHEMBL3850040 0.75 FLT3 (0.45) MKNK1MKNK2TGFBR1FLT3
SCHEMBL3877558 0.75 MKNK1 (0.34) MKNK1MKNK2EIF4E
SCHEMBL3872041 0.74 MKNK1 (0.36) PIK3CAMKNK1MKNK2TGFBR1EIF4E

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