SCHEMBL3854652

SCHEMBL3854652

CN(C)C(=O)COc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TGFBR1 P36897 6/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
FYN P06241 2/20 0.35
RAD52 P43351 1/20 0.35
FLT3 P36888 1/20 0.35
ACSS2 Q9NR19 1/20 0.34
FABP4 P15090 2/20 0.34
TGFBR2 P37173 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34

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
SCHEMBL3850395 0.88 TGFBR1 (0.38) SMN1; SMN2MEN1KMT2ATGFBR1FYN
SCHEMBL3849706 0.85 FLT3 (0.46) SMN1; SMN2CLK1DYRK1AFYNFLT3
SCHEMBL3852515 0.84 L3MBTL1 (0.40) TGFBR1CLK1DYRK1AFYNRAD52
SCHEMBL3849015 0.84 FAAH (0.39) TGFBR1TGFBR2
SCHEMBL3846108 0.83 FLT3 (0.41) TGFBR1FYNFLT3AKT1AKT2
SCHEMBL3845550 0.83 FLT3 (0.41) MEN1KMT2ATGFBR1FYNFLT3
SCHEMBL3847038 0.83 FLT3 (0.38) TGFBR1CLK1DYRK1AFYNFLT3
SCHEMBL3846734 0.82 MKNK1 (0.44) TGFBR1FYNFLT3AKT1AKT2
Hydrochloric Acid SCHEMBL3845911 0.82 GABRA1 (0.41) GABRA1GABRB2SMN1; SMN2MAPTMEN1
SCHEMBL3848374 0.82 FYN (0.45) TGFBR1FYNFLT3TGFBR2AKT1

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 3 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
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