SCHEMBL3845285

SCHEMBL3845285

N#CCCCc1nc2ccc(-c3cnc4ccc(-c5c[nH]nc5-c5ccc(F)cc5)cn34)cc2s1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.34
LIPG Q9Y5X9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 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
SCHEMBL3847218 0.87 LIPG (0.34) TGFBR1LIPGPRMT5WDR77
Hydrochloric Acid SCHEMBL3847051 0.85 TGFBR1 (0.34) TGFBR1KDM4EMEN1MAPTKMT2A
SCHEMBL3848449 0.83 LIPG (0.34) TGFBR1LIPGKDM4EMEN1MAPT
SCHEMBL13874650 0.79 FLT3 (0.34) TGFBR1LIPG
SCHEMBL13874203 0.79 LIPG (0.34) TGFBR1LIPG
SCHEMBL3848452 0.77
Hydrochloric Acid SCHEMBL3846106 0.76 FLT3 (0.43) TGFBR1
SCHEMBL14145550 0.76 FLT3 (0.40) TGFBR1
SCHEMBL13874137 0.76 FLT3 (0.51) TGFBR1PRMT5WDR77
SCHEMBL3844901 0.75 LIPG (0.36) TGFBR1LIPG

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