SCHEMBL3852836

SCHEMBL3852836

CN(C)c1ccc(-c2cnc3ccc(-c4c[nH]nc4-c4ccc(F)cc4)cn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.43
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
APP P05067 1/20 0.38
MAPK14 Q16539 1/20 0.38
FYN P06241 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TGFBR1 P36897 5/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ADORA2A P29274 1/20 0.35

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
SCHEMBL13874137 0.91 FLT3 (0.51) FLT3CLK1DYRK1AFYNTGFBR1
Hydrochloric Acid SCHEMBL3856691 0.90 FLT3 (0.50) FLT3CLK1DYRK1AFYNTGFBR1
SCHEMBL13874112 0.88 FLT3 (0.46) FLT3CLK1DYRK1AMAPK14FYN
SCHEMBL3847634 0.86 FLT3 (0.46) FLT3CLK1DYRK1AFYNPRMT5
SCHEMBL13874145 0.86 FLT3 (0.46) FLT3CLK1DYRK1AFYNTGFBR1
Hydrochloric Acid SCHEMBL3847766 0.85 FLT3 (0.52) FLT3CLK1DYRK1AMAPK14FYN
Hydrochloric Acid SCHEMBL3846185 0.85 FLT3 (0.43) FLT3CLK1DYRK1AMAPK14FYN
Hydrochloric Acid SCHEMBL3848748 0.85 FLT3 (0.45) FLT3CLK1DYRK1AFYNTGFBR1
SCHEMBL13874256 0.84 FLT3 (0.44) FLT3CLK1DYRK1ATGFBR1PRMT5
Hydrochloric Acid SCHEMBL3850890 0.83 FLT3 (0.43) FLT3CLK1DYRK1ATGFBR1PRMT5

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