SCHEMBL3846955

SCHEMBL3846955

CN(C(=O)OC(C)(C)C)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc2ncc(-c3ccccn3)n2c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.39
TGFBR2 P37173 2/20 0.38
AAK1 Q2M2I8 2/20 0.34
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL3850093 0.80 TGFBR1 (0.46) TGFBR1TGFBR2MKNK1MKNK2
SCHEMBL3845587 0.80 TGFBR1 (0.43) TGFBR1TGFBR2
SCHEMBL3846170 0.78 TGFBR1 (0.46) TGFBR1TGFBR2
SCHEMBL3854253 0.78 TGFBR1 (0.44) TGFBR1TGFBR2MKNK1MKNK2
SCHEMBL3845039 0.78 TGFBR1 (0.46) TGFBR1TGFBR2
SCHEMBL3850395 0.77 TGFBR1 (0.38) TGFBR1TGFBR2
SCHEMBL3849616 0.77 TGFBR1 (0.39) TGFBR1TGFBR2
SCHEMBL3847225 0.77 TGFBR1 (0.43) TGFBR1TGFBR2MKNK1MKNK2
SCHEMBL3852272 0.76 TGFBR1 (0.41) TGFBR1TGFBR2MKNK1MKNK2
SCHEMBL3846841 0.76 TGFBR1 (0.48) 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 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