SCHEMBL3848730

SCHEMBL3848730

O=S(=O)(c1ccc(-c2ncnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cc23)s1)N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.35
FEN1 P39748 9/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KIT P10721 5/20 0.34
PDPK1 O15530 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3847208 0.99 L3MBTL1 (0.35) ALOX5APFEN1L3MBTL1KITPDPK1
SCHEMBL3846511 0.93 ALOX5AP (0.36) ALOX5APFEN1KITPDPK1ALDH1A1
SCHEMBL3846035 0.93 CYP2C19 (0.37) ALOX5APFEN1KITPDPK1ALDH1A1
SCHEMBL3846935 0.88 KIT (0.34) KITPDPK1
SCHEMBL3854489 0.88 PTGS2 (0.35) KITPDPK1
SCHEMBL3848129 0.87 KIT (0.33) ALOX5APFEN1KIT
SCHEMBL3846696 0.86 KIT (0.35) ALOX5APFEN1KITPDPK1
SCHEMBL3849955 0.86 KIT (0.36) ALOX5APFEN1KITPDPK1ALDH1A1
SCHEMBL3854179 0.86 KIT (0.34) ALOX5APFEN1KITALDH1A1
SCHEMBL3850966 0.84 KIT (0.34) KITALDH1A1

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