SCHEMBL3846712

SCHEMBL3846712

NC(=O)c1ccc(-c2cnc3ccc(Br)cn23)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.61
MKNK2 Q9HBH9 4/20 0.61
FYN P06241 10/20 0.52
RIPK2 O43353 1/20 0.51
MAP3K14 Q99558 1/20 0.49
GRK5 P34947 2/20 0.48
PIK3CA P42336 2/20 0.46
ATR Q13535 1/20 0.46
MTOR P42345 1/20 0.46
MAP4K4 O95819 1/20 0.45
ATM Q13315 1/20 0.43
CYP3A4 P08684 1/20 0.42
EIF4E P06730 1/20 0.42

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
SCHEMBL3847512 0.87 MKNK1 (0.51) MKNK1MKNK2FYNMAP3K14PIK3CA
SCHEMBL15288071 0.84 MKNK1 (0.67) MKNK1MKNK2FYNRIPK2GRK5
SCHEMBL24460479 0.83 MKNK1 (0.73) MKNK1MKNK2FYNRIPK2CYP3A4
SCHEMBL3850100 0.83 PIK3CA (0.53) MKNK1MKNK2FYNRIPK2MAP3K14
SCHEMBL13874025 0.83 PIK3CA (0.44) MKNK1MKNK2FYNMAP3K14PIK3CA
SCHEMBL18584581 0.82 MKNK1 (0.57) MKNK1MKNK2FYNRIPK2PIK3CA
SCHEMBL14145116 0.82 ATM (0.63) MKNK1MKNK2FYNMAP3K14PIK3CA
SCHEMBL15718042 0.80 MKNK1 (0.90) MKNK1MKNK2FYNATM
SCHEMBL3854262 0.78 FYN (0.52) FYN
SCHEMBL21084989 0.77 TGFBR1 (0.51)

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 6 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-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
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