SCHEMBL3846448

SCHEMBL3846448

Fc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccccc4F)cn23)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.44
TGFBR1 P36897 9/20 0.36
TGFBR2 P37173 1/20 0.35
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 1/20 0.34
FYN P06241 1/20 0.34
PIK3CA P42336 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34

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
SCHEMBL3846927 0.92 FLT3 (0.43) FLT3TGFBR1MKNK1MKNK2FYN
SCHEMBL3850397 0.88 FLT3 (0.43) FLT3TGFBR1TGFBR2FYNAKT1
SCHEMBL3846734 0.88 MKNK1 (0.44) FLT3TGFBR1MKNK1MKNK2FYN
SCHEMBL3846108 0.85 FLT3 (0.41) FLT3TGFBR1MKNK1FYNAKT1
SCHEMBL3845550 0.85 FLT3 (0.41) FLT3TGFBR1TGFBR2MKNK1MKNK2
SCHEMBL3845520 0.85 FLT3 (0.41) FLT3TGFBR1MKNK1FYNAKT1
SCHEMBL3849706 0.85 FLT3 (0.46) FLT3FYNPIK3CAAKT1AKT2
SCHEMBL3845957 0.85 FLT3 (0.41) FLT3TGFBR1MKNK1MKNK2PIK3CA
SCHEMBL3845882 0.85 TGFBR1 (0.36) TGFBR1TGFBR2
SCHEMBL3845245 0.85 FLT3 (0.39) FLT3TGFBR1TGFBR2AKT1AKT2

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