SCHEMBL3847500

SCHEMBL3847500

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 7/20 0.37
FLT3 P36888 1/20 0.37
SLC6A9 P48067 1/20 0.35
MET P08581 1/20 0.35
EP300 Q09472 1/20 0.35
USP30 Q70CQ3 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
MAPK1 P28482 4/20 0.33
CHRM4 P08173 1/20 0.33
IDO1 P14902 1/20 0.33
CNR2 P34972 1/20 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
SCHEMBL3851179 0.94 FLT3 (0.38) CLK1FLT3SLC6A9METUSP30
SCHEMBL3847905 0.93 MET (0.35) CLK1FLT3SLC6A9METUSP30
SCHEMBL3855253 0.93 MAPK1 (0.36) CLK1FLT3SLC6A9METUSP30
SCHEMBL3844926 0.93 SLC6A9 (0.42) CLK1SLC6A9METUSP30
SCHEMBL3847325 0.92 SLC6A9 (0.41) CLK1FLT3SLC6A9METUSP30
SCHEMBL3845229 0.87 SMN1; SMN2 (0.46) CLK1FLT3MET
SCHEMBL3850446 0.87 PDE2A (0.37) CLK1FLT3METUSP30MAPK1
SCHEMBL3850098 0.84 EPHB3 (0.39) CLK1FLT3MET
SCHEMBL3847097 0.82 PRMT5 (0.38) CLK1FLT3MET
SCHEMBL3846503 0.81 CLK1 (0.37) CLK1METEP300MAPK1

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