SCHEMBL4693739

SCHEMBL4693739

Clc1ccc(C2N=C(c3ccc(Br)cc3)NC2c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.55
▸ MDM2 Q00987 1/20 0.44
▸ TGFBR1 P36897 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GCGR P47871 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL4693172 1.00 P2RX7 (0.55) P2RX7MDM2TGFBR1MAPTPOLB
Hydrochloric Acid SCHEMBL10445426 0.91 P2RX7 (0.62) P2RX7MDM2TGFBR1MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL10445425 0.91 P2RX7 (0.62) P2RX7MDM2TGFBR1MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL10445424 0.91 P2RX7 (0.62) P2RX7MDM2TGFBR1MAPK1ALDH1A1
SCHEMBL14160076 0.86 P2RX7 (0.76) P2RX7MDM2TGFBR1MAPK1ALDH1A1
SCHEMBL14159995 0.85 P2RX7 (0.55) P2RX7MDM2TGFBR1MAPTSMN1; SMN2
SCHEMBL4693786 0.85 P2RX7 (0.55) P2RX7MDM2TGFBR1SMN1; SMN2ALDH1A1
SCHEMBL4696923 0.85 TGFBR1 (0.58) P2RX7MDM2TGFBR1MAPTSMN1; SMN2
SCHEMBL14159994 0.85 P2RX7 (0.55) P2RX7MDM2TGFBR1MAPK1ALDH1A1
SCHEMBL14159993 0.85 TGFBR1 (0.58) P2RX7MDM2TGFBR1MAPTSMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463501-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 — — EP claimed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 — — EP claimed
US-6617346-B1 Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity HOFFMANN-LA ROCHE INC. 2003-09-09 — — US claimed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 — — WO claimed
EP-1463501-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 — — EP disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 — — EP disclosed
US-6617346-B1 Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity HOFFMANN-LA ROCHE INC. 2003-09-09 — — US disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 — — WO disclosed
Send feedback