SCHEMBL3853073

SCHEMBL3853073

CSc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4-c4ccc(S(C)(=O)=O)cc4)cn23)s1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.42
KCNH2 Q12809 1/20 0.35
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
TGFBR1 P36897 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
SCHEMBL3845547 0.91 FLT3 (0.39) FLT3
SCHEMBL3846456 0.86 FLT3 (0.42) FLT3KCNH2AKT1AKT2TGFBR1
SCHEMBL3853072 0.85 FLT3 (0.49) FLT3KCNH2AKT1AKT2TGFBR1
SCHEMBL3846533 0.84 PRKDC (0.38) FLT3KCNH2AKT1AKT2TGFBR1
SCHEMBL3847574 0.84 KCNH2 (0.35) FLT3KCNH2AKT1AKT2TGFBR1
SCHEMBL3848272 0.84 KCNH2 (0.40) FLT3KCNH2AKT1AKT2TGFBR1
SCHEMBL3847153 0.84 FLT3 (0.35) FLT3AKT1AKT2
SCHEMBL3847641 0.82 KCNH2 (0.38) FLT3KCNH2AKT1AKT2TGFBR1
SCHEMBL3850042 0.81 FLT3 (0.38) FLT3KCNH2
SCHEMBL3848959 0.80 FLT3 (0.38) FLT3AKT1AKT2

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