SCHEMBL3853399

SCHEMBL3853399

CC(=O)NCCCNC(=O)c1ccc(-c2cnc3ccc(-c4c[nH]nc4C)cn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FYN P06241 19/20 0.47
RAD52 P43351 1/20 0.42
IKBKB O14920 1/20 0.40

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
SCHEMBL4713785 0.87 FYN (0.44) FYNRAD52
SCHEMBL3847846 0.79 FYN (0.45) FYNRAD52IKBKB
SCHEMBL3851632 0.78 FYN (0.42) FYNRAD52
SCHEMBL13874414 0.78 FYN (0.46) FYNRAD52IKBKB
SCHEMBL3846791 0.77 MAPK8 (0.45) FYNRAD52IKBKB
SCHEMBL3851188 0.76 FYN (0.49) FYNRAD52
Hydrochloric Acid SCHEMBL3847648 0.76 MAPT (0.48)
SCHEMBL3847437 0.76 L3MBTL1 (0.40) FYNRAD52
SCHEMBL3846276 0.72 FYN (0.42) FYNRAD52
Hydrochloric Acid SCHEMBL3847203 0.72 KCNH2 (0.46)

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