SCHEMBL3854262

SCHEMBL3854262

NCCCNC(=O)c1ccc(-c2cnc3ccc(Br)cn23)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FYN P06241 16/20 0.52
IKBKB O14920 2/20 0.52
RAD52 P43351 1/20 0.44

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
SCHEMBL14145116 0.80 ATM (0.63) FYN
SCHEMBL14145500 0.78 IKBKB (0.43) FYNIKBKBRAD52
SCHEMBL13874171 0.78 IKBKB (0.43) FYNIKBKB
SCHEMBL3846712 0.78 MKNK1 (0.61) FYN
SCHEMBL3846791 0.78 MAPK8 (0.45) FYNIKBKBRAD52
SCHEMBL3847512 0.77 MKNK1 (0.51) FYN
SCHEMBL3850100 0.76 PIK3CA (0.53) FYN
SCHEMBL13874025 0.76 PIK3CA (0.44) FYN
SCHEMBL3848924 0.73 FYN (0.41) FYNIKBKBRAD52
SCHEMBL19466887 0.73 IKBKB (0.68) FYNIKBKB

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