SCHEMBL3847431

SCHEMBL3847431

CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4c[nH]nc4-c4ccccn4)cn23)s1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.44
TGFBR1 P36897 7/20 0.40
TGFBR2 P37173 1/20 0.40
KCNH2 Q12809 1/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 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
Hydrochloric Acid SCHEMBL3848158 0.86 FLT3 (0.55) FLT3TGFBR1KCNH2
Hydrochloric Acid SCHEMBL3848171 0.86 FLT3 (0.56) FLT3TGFBR1KCNH2
SCHEMBL3848209 0.85 FLT3 (0.44) FLT3TGFBR1KCNH2
SCHEMBL3856687 0.84 FLT3 (0.46) FLT3TGFBR1KCNH2
SCHEMBL3845761 0.83 FLT3 (0.42) FLT3TGFBR1KCNH2
Hydrochloric Acid SCHEMBL3856334 0.82 FLT3 (0.48) FLT3TGFBR1KCNH2
SCHEMBL3855569 0.82 TGFBR1 (0.50) FLT3TGFBR1TGFBR2
SCHEMBL3850102 0.81 MKNK1 (0.44) FLT3
SCHEMBL3849754 0.81 FLT3 (0.51) FLT3TGFBR1KCNH2
SCHEMBL13874280 0.81 FLT3 (0.49) FLT3TGFBR1TGFBR2

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