SCHEMBL3848129

SCHEMBL3848129

O=S(=O)(c1ccc(-c2ncnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cc23)s1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
CD38 P28907 1/20 0.30
CAMKK1 Q8N5S9 1/20 0.30
CAMKK2 Q96RR4 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
SCHEMBL3849627 0.93 ALOX5AP (0.35) KITALOX5APFEN1
SCHEMBL3846935 0.89 KIT (0.34) KITCD38
SCHEMBL3854489 0.89 PTGS2 (0.35) KITCYP3A4HPGDCD38
SCHEMBL3846696 0.88 KIT (0.35) KITALOX5APFEN1CYP3A4HPGD
SCHEMBL3847208 0.87 L3MBTL1 (0.35) KITALOX5APFEN1
SCHEMBL3849955 0.87 KIT (0.36) KITALOX5APFEN1CYP3A4HPGD
SCHEMBL3854179 0.87 KIT (0.34) KITALOX5APFEN1CYP3A4HPGD
SCHEMBL3846035 0.87 CYP2C19 (0.37) KITALOX5APFEN1CYP3A4HPGD
SCHEMBL3848730 0.87 ALOX5AP (0.35) KITALOX5APFEN1
SCHEMBL3855518 0.86 PKM (0.41) KITALOX5APFEN1CYP3A4HPGD

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