SCHEMBL4725394

SCHEMBL4725394

Nc1cnc2cc(Cl)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.53
HRH4 Q9H3N8 2/20 0.47
BACE1 P56817 3/20 0.44
NR4A2 P43354 4/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
SOS2 Q07890 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41

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
SCHEMBL629582 0.92 PIK3CG (0.48) PIK3CGHRH4BACE1NR4A2LMNA
SCHEMBL1463404 0.80 HRH4 (0.40) PIK3CGHRH4BACE1HTR3A
SCHEMBL29580471 0.79 ALDH1A1 (0.55) PIK3CGHRH4NR4A2LMNACYP1A2
SCHEMBL346120 0.79 ALDH1A1 (0.55) PIK3CGHRH4NR4A2LMNACYP1A2
Ammonia Solution, Strong SCHEMBL28148393 0.78 ALDH1A1 (0.53) PIK3CGHRH4NR4A2LMNACYP1A2
SCHEMBL31649418 0.77 HRH4 (0.45) PIK3CGHRH4NR4A2LMNACYP1A2
SCHEMBL2609314 0.77 HRH4 (0.49) PIK3CGHRH4NR4A2LMNACYP1A2
SCHEMBL11372767 0.77 ALDH1A1 (0.42) BACE1PDGFRBPDGFRADYRK1A
SCHEMBL2616096 0.76 HRH4 (0.55) PIK3CGHRH4NR4A2LMNAMAPT
SCHEMBL14322277 0.76 HRH4 (0.47) PIK3CGHRH4NR4A2CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008015423-A1 QUINOLINE AND QUINOXALINE N-OXIDES AS CHK-1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2008-02-07 WO disclosed
WO-2008015423-A1 QUINOLINE AND QUINOXALINE N-OXIDES AS CHK-1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2008-02-07 WO disclosed
US-RE30563-E Preparation of benzoylureas ELI LILLY AND COMPANY (US) 1981-03-31 US disclosed
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US disclosed
US-4133956-A Preparation of benzoylureas ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4083977-A Novel insecticidal 1-(substituted benzoyl)-3-(substituted pyrazinyl)ureas ELI LILLY AND COMPANY (US) 1978-04-11 US disclosed