SCHEMBL3851179

SCHEMBL3851179

O=C(NC1(c2ccc(F)cc2)CC1)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.38
SLC6A9 P48067 1/20 0.36
MET P08581 2/20 0.36
CLK1 P49759 4/20 0.36
USP30 Q70CQ3 1/20 0.35
MAPK1 P28482 4/20 0.34
AKT1 P31749 3/20 0.33
FYN P06241 1/20 0.33
IKBKB O14920 3/20 0.32

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
SCHEMBL3847500 0.94 CLK1 (0.37) FLT3SLC6A9METCLK1USP30
SCHEMBL3844926 0.94 SLC6A9 (0.42) SLC6A9METCLK1USP30
SCHEMBL3847905 0.93 MET (0.35) FLT3SLC6A9METCLK1USP30
SCHEMBL3847325 0.93 SLC6A9 (0.41) FLT3SLC6A9METCLK1USP30
SCHEMBL3850446 0.91 PDE2A (0.37) FLT3METCLK1USP30MAPK1
SCHEMBL3855253 0.90 MAPK1 (0.36) FLT3SLC6A9METCLK1USP30
SCHEMBL3850512 0.84 CLK1 (0.48) METCLK1MAPK1
SCHEMBL3847490 0.83 MAPT (0.40) FLT3METCLK1MAPK1
SCHEMBL3847097 0.83 PRMT5 (0.38) FLT3METCLK1
SCHEMBL3851316 0.82 MET (0.41) FLT3METCLK1MAPK1

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