SCHEMBL8607362

SCHEMBL8607362

O=C(O)c1cnc2cc(-c3nnn[nH]3)ccn12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FLT3 P36888 3/20 0.33
USP30 Q70CQ3 5/20 0.32
HDAC8 Q9BY41 1/20 0.32
TGFBR1 P36897 1/20 0.32
NEK2 P51955 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
SCHEMBL8606282 0.81 KDR (0.33) KDRKDM4EALDH1A1GAAPKM
SCHEMBL8605309 0.81 TGFBR1 (0.47) TGFBR1
SCHEMBL8606794 0.80 KDR (0.48) KDRFLT3
SCHEMBL8608912 0.74 HPGD (0.37) KDRKDM4EALDH1A1GAAPKM
SCHEMBL14739009 0.73 KDR (0.38) KDRKDM4EALDH1A1GAAPKM
SCHEMBL8607219 0.72 PTGS1 (0.47) KDM4EALDH1A1NPC1RAB9A
SCHEMBL9753645 0.71 NPC1 (0.47) KDRKDM4EALDH1A1GAAPKM
SCHEMBL9941639 0.71 ALDH1A1 (0.44) KDRKDM4EALDH1A1GAAPKM
SCHEMBL30935693 0.71 KDM4A (0.43) KDRKDM4EALDH1A1GAAPKM
SCHEMBL14756581 0.70 KDM4E (0.43) KDRKDM4EALDH1A1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP claimed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO claimed
US-5716964-A BRAIN DISORDERS; ANTIISCHEMIC AGENTS G.D. SEARLE & CO. (US) 1998-02-10 US disclosed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed