SCHEMBL3846276

SCHEMBL3846276

CC(=O)NCCCNC(=O)c1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 16/20 0.42
RAD52 P43351 1/20 0.40
NAMPT P43490 1/20 0.39
ATM Q13315 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 1/20 0.38
GABRA5 P31644 1/20 0.36

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
SCHEMBL3848924 0.92 FYN (0.41) FYNRAD52NAMPTATMMAPK10
SCHEMBL3852515 0.90 L3MBTL1 (0.40) FYNRAD52
SCHEMBL3847846 0.88 FYN (0.45) FYNRAD52ATM
SCHEMBL3845550 0.85 FLT3 (0.41) FYNATM
SCHEMBL3848374 0.83 FYN (0.45) FYN
SCHEMBL4713785 0.82 FYN (0.44) FYNRAD52NAMPTGABRA5
SCHEMBL3846734 0.80 MKNK1 (0.44) FYN
SCHEMBL3847903 0.80 MEN1 (0.35) FYNRAD52MAPK10
SCHEMBL3850397 0.79 FLT3 (0.43) FYNMAPK14
SCHEMBL3846455 0.78 FLT3 (0.51)

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