SCHEMBL3845703

SCHEMBL3845703

Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc2ncc(-c3ccc(C(=O)O)c(F)c3)n2c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.41
MET P08581 1/20 0.37
TGFBR2 P37173 3/20 0.37
MAPK1 P28482 2/20 0.36
PDE10A Q9Y233 1/20 0.36
AXL P30530 1/20 0.36
SLC22A12 Q96S37 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL3847649 0.90 KDM4E (0.39) TGFBR1METMAPK1
SCHEMBL3871629 0.85 ALDH1A1 (0.44) TGFBR1METMAPK1
SCHEMBL3847097 0.83 PRMT5 (0.38) METPDE10AAXLKCNH2
SCHEMBL3846968 0.78 KCNH2 (0.44) TGFBR1KCNH2
SCHEMBL13874492 0.77 MET (0.36) TGFBR1METPDE10AAXLKCNH2
SCHEMBL3851820 0.76 PIK3CD (0.40) TGFBR1MET
SCHEMBL3852869 0.75 TGFBR1 (0.38) TGFBR1
SCHEMBL3847846 0.75 FYN (0.45)
SCHEMBL3845550 0.75 FLT3 (0.41) TGFBR1TGFBR2
SCHEMBL6637293 0.74 ALDH1A1 (0.41) TGFBR1KCNH2

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