SCHEMBL8307878

SCHEMBL8307878

CCc1ncnc(NCCc2ccccc2)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
MAPK1 P28482 3/20 0.54
APP P05067 2/20 0.54
EGFR P00533 1/20 0.54
LMNA P02545 1/20 0.54
TMIGD3 P0DMS9 3/20 0.51
ADORA2A P29274 3/20 0.51
ADORA1 P30542 3/20 0.51
ADORA2B P29275 2/20 0.51
SLC29A1 Q99808 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
GALR3 O60755 1/20 0.46
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
PIK3CD O00329 1/20 0.45

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
SCHEMBL15684987 0.86 RAB9A (0.60) HTTMAPK1APPEGFRLMNA
SCHEMBL8303441 0.86 HTT (0.47) HTTMAPK1APPEGFRLMNA
SCHEMBL8308405 0.85 CNR1 (0.53) HTTCNR1CNR2GALR3AURKA
SCHEMBL8303763 0.85 GALR3 (0.46) HTTMAPK1APPEGFRLMNA
SCHEMBL9185972 0.84 CCNC (0.51) HTTMAPK1APPEGFRLMNA
SCHEMBL9085869 0.84 GALR3 (0.45) HTTMAPK1APPEGFRLMNA
SCHEMBL8302002 0.83 POLB (0.41) HTTMAPK1APPEGFRLMNA
SCHEMBL17133553 0.83 PDE2A (0.47) HTTEGFRLMNATMIGD3ADORA2A
SCHEMBL30487712 0.83 PDE2A (0.47) HTTEGFRLMNATMIGD3ADORA2A
SCHEMBL11105641 0.82 METAP2 (0.57) HTTMAPK1APPEGFRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555388-B1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES DU PONT (US) 1999-01-27 EP disclosed
US-5378708-A Agricultural pesticides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-03 US disclosed
EP-0555388-A1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-18 EP disclosed
WO-1992008704-A1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-29 WO disclosed