SCHEMBL3851097

SCHEMBL3851097

CS(=O)(=O)c1ccc(-c2cnc3c(Cl)cc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4F)cn23)s1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
FLT3 P36888 4/20 0.34
RXRA P19793 2/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
SCN9A Q15858 1/20 0.32
FYN P06241 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL3845273 0.87 FLT3 (0.47) PTGS1PTGS2FLT3RXRANR1H2
SCHEMBL3852896 0.87
SCHEMBL3851099 0.86 PTGS1 (0.31) PTGS1PTGS2
Hydrochloric Acid SCHEMBL3846571 0.81 FLT3 (0.37) PTGS1PTGS2FLT3SCN9AFYN
SCHEMBL3845235 0.79 SMN1; SMN2 (0.34) SCN9A
SCHEMBL3846708 0.77 PTGS1 (0.34) PTGS1PTGS2RXRANR1H2NR1H3
SCHEMBL3852899 0.74
SCHEMBL3846437 0.74 FLT3 (0.51) PTGS2FLT3
SCHEMBL3848109 0.73 FLT3 (0.40) FLT3
SCHEMBL3846444 0.73 CA12 (0.33) PTGS1PTGS2ALOX5APFEN1

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