SCHEMBL3847229

SCHEMBL3847229

O=C(O)c1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)C3C=CC=CC3)cc2-c2ccc3ncc(-c4ccccn4)n3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.37
TGFBR2 P37173 1/20 0.37
FLT3 P36888 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
PIM1 P11309 1/20 0.32
MKNK1 Q9BUB5 3/20 0.31
MKNK2 Q9HBH9 3/20 0.31
EIF4E P06730 1/20 0.31

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
SCHEMBL3847290 0.90 TGFBR1 (0.35) TGFBR1TGFBR2FLT3IRAK4
SCHEMBL3847482 0.90 TGFBR1 (0.34) TGFBR1TGFBR2FLT3IRAK4
SCHEMBL3846419 0.90 MKNK1 (0.46) IRAK4MKNK1MKNK2EIF4E
SCHEMBL3845555 0.89 TGFBR1 (0.33) TGFBR1TGFBR2FLT3PIM1MKNK1
SCHEMBL3850696 0.88 TGFBR1 (0.35) TGFBR1TGFBR2FLT3IRAK4
SCHEMBL3850101 0.86 TGFBR1 (0.33) TGFBR1TGFBR2FLT3IRAK4
SCHEMBL3845247 0.84 FLT3 (0.31) TGFBR1TGFBR2FLT3
SCHEMBL3848181 0.83 FLT3 (0.39) TGFBR1TGFBR2FLT3
SCHEMBL3847225 0.83 TGFBR1 (0.43) TGFBR1TGFBR2MKNK1MKNK2
SCHEMBL3848375 0.83 FYN (0.38) TGFBR1TGFBR2MKNK1MKNK2

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
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