SCHEMBL6599713

SCHEMBL6599713

CN1CCC(N(C)C(=O)c2ccc(-c3nccnc3C(=O)Nc3cccnc3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.45
GSK3B P49841 4/20 0.45
CCNE2 O96020 3/20 0.45
CCNE1 P24864 3/20 0.45
CDK2 P24941 3/20 0.45
PFKFB3 Q16875 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
DYRK1A Q13627 1/20 0.42
PRKCI P41743 1/20 0.42
PDE10A Q9Y233 1/20 0.42
USP30 Q70CQ3 2/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
NAMPT P43490 1/20 0.41
RAB9A P51151 1/20 0.41
GSK3A P49840 1/20 0.40
ATR Q13535 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
SCHEMBL6035120 0.84 GSK3B (0.66) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL6035526 0.79 GSK3B (0.71) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL27754747 0.72 PRKCI (0.64) GAAHPGDPRKCINPC1LMNA
SCHEMBL6599715 0.71 HRH3 (0.45) MCHR1HRH3DYRK1AUSP30
Hydrochloric Acid SCHEMBL27606635 0.71 PRKCI (0.63) GAAHPGDPRKCINPC1LMNA
SCHEMBL6034162 0.70 GSK3B (0.67) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3333340 0.69 HRH3 (0.61) MCHR1HRH3USP30
SCHEMBL17888295 0.68 MCHR1 (0.61) MCHR1HRH3USP30
SCHEMBL6033920 0.67 ATR (0.85) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL31654003 0.66 HRH3 (0.50) MCHR1HRH3

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
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed