SCHEMBL3852272

SCHEMBL3852272

Oc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccccn4)n3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.41
TGFBR2 P37173 1/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
MET P08581 1/20 0.39
FYN P06241 6/20 0.36
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3846170 0.91 TGFBR1 (0.46) TGFBR1TGFBR2NPC1LMNAMAPT
SCHEMBL3847481 0.90 TGFBR1 (0.40) TGFBR1TGFBR2FYN
SCHEMBL3855867 0.90 TGFBR1 (0.40) TGFBR1TGFBR2
SCHEMBL3846843 0.90 TGFBR1 (0.41) TGFBR1TGFBR2
SCHEMBL3847225 0.90 TGFBR1 (0.43) TGFBR1TGFBR2MKNK1MKNK2FYN
SCHEMBL4712454 0.90 TGFBR1 (0.39) TGFBR1TGFBR2
SCHEMBL3846122 0.90 FYN (0.42) TGFBR1TGFBR2FYN
SCHEMBL3846055 0.90 TGFBR1 (0.42) TGFBR1TGFBR2
SCHEMBL3846841 0.88 TGFBR1 (0.48) TGFBR1TGFBR2MKNK1MKNK2FYN
SCHEMBL3854925 0.88 TGFBR1 (0.39) TGFBR1TGFBR2

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