SCHEMBL7223173

SCHEMBL7223173

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cnc(-c2ccncc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
USP30 Q70CQ3 1/20 0.42
GSK3B P49841 2/20 0.40
DYRK3 O43781 1/20 0.40
PRKCG P05129 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MAPK1 P28482 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
RPS6KA3 P51812 1/20 0.40
PRKCD Q05655 1/20 0.40
ROCK1 Q13464 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN2 Q16513 1/20 0.40
AURKB Q96GD4 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SGK2 Q9HBY8 1/20 0.40
CSNK1G1 Q9HCP0 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
SCHEMBL7071274 0.90 USP30 (0.53) USP30PTPN1CYP3A4SLC6A3KCNH2
SCHEMBL7224996 0.89 USP30 (0.42) USP30GSK3BPTPN1PTPN11SLC6A3
Hydrochloric Acid SCHEMBL7075524 0.89 USP30 (0.52) USP30PTPN1CYP3A4SLC6A3KCNH2
SCHEMBL7233080 0.89 USP30 (0.43) USP30CYP3A4NPC1ALDH1A1MAPT
SCHEMBL7231198 0.88 SMN1; SMN2 (0.47) USP30PTPN1PTPN11SLC6A3NPC1
SCHEMBL7234180 0.88 USP30 (0.42) USP30PTPN1PTPN11SLC6A3KCNH2
SCHEMBL7225141 0.88 USP30 (0.44) CDC7DBF4USP30PTPN1PTPN11
SCHEMBL7223371 0.88 USP30 (0.42) USP30GSK3BPTPN1PTPN11SLC6A3
SCHEMBL7226143 0.88 PTPN11 (0.49) USP30PTPN1PTPN11SLC6A3
SCHEMBL7233210 0.88 GSK3B (0.41) USP30GSK3BPTPN11MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US claimed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed