SCHEMBL3846112

SCHEMBL3846112

CN(C)c1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4-c4ccc(F)cc4)cn23)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.34
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
TGFBR1 P36897 2/20 0.32
TGFBR2 P37173 1/20 0.31
FYN P06241 1/20 0.30

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
SCHEMBL3846737 0.91 MKNK1 (0.36) FLT3AKT1AKT2TGFBR1TGFBR2
SCHEMBL3850400 0.91 FLT3 (0.35) FLT3AKT1AKT2TGFBR1TGFBR2
SCHEMBL3849709 0.90 FLT3 (0.38) FLT3AKT1AKT2TGFBR1TGFBR2
SCHEMBL3845523 0.90 FLT3 (0.33) FLT3AKT1AKT2TGFBR1TGFBR2
SCHEMBL3846452 0.89 FLT3 (0.36) FLT3AKT1AKT2TGFBR1
SCHEMBL3846456 0.89 FLT3 (0.42) FLT3AKT1AKT2TGFBR1
SCHEMBL3845555 0.89 TGFBR1 (0.33) FLT3AKT1AKT2ALDH1A1TGFBR1
SCHEMBL3845960 0.89 TGFBR1 (0.36) FLT3AKT1AKT2CYP3A4TGFBR1
SCHEMBL3845247 0.88 FLT3 (0.31) FLT3AKT1AKT2TGFBR1TGFBR2
SCHEMBL3846929 0.88 FLT3 (0.35) FLT3

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