SCHEMBL3844675

SCHEMBL3844675

COC(=O)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc2ncc(-c3ccc(S(C)(=O)=O)s3)n2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 12/20 0.43
KCNH2 Q12809 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
TGFBR1 P36897 2/20 0.33
RXRA P19793 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
EPHB3 P54753 1/20 0.32

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
SCHEMBL3847887 0.92 FLT3 (0.43) FLT3KCNH2MKNK1MKNK2TGFBR1
SCHEMBL3855938 0.91 FLT3 (0.43) FLT3KCNH2MKNK1MKNK2TGFBR1
SCHEMBL3850040 0.86 FLT3 (0.45) FLT3KCNH2MKNK1MKNK2TGFBR1
SCHEMBL3866634 0.86 FLT3 (0.38) FLT3MKNK1MKNK2TGFBR1
SCHEMBL3844677 0.85 FLT3 (0.37) FLT3KCNH2MKNK1MKNK2
SCHEMBL3846437 0.85 FLT3 (0.51) FLT3KCNH2TGFBR1
SCHEMBL3846126 0.82 FLT3 (0.42) FLT3KCNH2TGFBR1
SCHEMBL3847243 0.81 FLT3 (0.41) FLT3KCNH2MKNK1MKNK2TGFBR1
SCHEMBL3845587 0.81 TGFBR1 (0.43) TGFBR1
SCHEMBL3850929 0.80 KDR (0.39) TGFBR1EPHB3

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