SCHEMBL11110157

SCHEMBL11110157

Cc1c(Cl)ncnc1NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.57
PDE10A Q9Y233 1/20 0.55
GALR3 O60755 2/20 0.54
NR2F2 P24468 2/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 3/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
CDK1 P06493 1/20 0.50
KDM4C Q9H3R0 1/20 0.49
CDK2 P24941 1/20 0.49
PDE4A P27815 1/20 0.49

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
SCHEMBL9609203 0.84 GALR3 (0.58) EGFRGALR3NR2F2RAB9ALMNA
SCHEMBL11104154 0.83 EGFR (0.53) EGFRGALR3NR2F2RAB9ATSHR
SCHEMBL4032806 0.81 EGFR (0.54) EGFRGALR3NR2F2RAB9ATSHR
SCHEMBL30983851 0.81 KDM4C (0.72) EGFRGALR3NR2F2RAB9ATSHR
SCHEMBL783719 0.81 KDM4C (0.72) EGFRGALR3NR2F2RAB9ATSHR
SCHEMBL11110616 0.81 EGFR (0.54) EGFRGALR3NR2F2RAB9ATSHR
SCHEMBL23204279 0.77 ALDH1A1 (0.54) EGFRGALR3NR2F2RAB9ATSHR
SCHEMBL5031499 0.77 EGFR (0.50) EGFRGALR3NR2F2RAB9ATSHR
SCHEMBL20619314 0.77 EGFR (0.53) EGFRGALR3NR2F2RAB9ATSHR
SCHEMBL29956286 0.77 EGFR (0.50) EGFRGALR3NR2F2RAB9ATSHR

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-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 US disclosed
EP-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 EP disclosed