SCHEMBL9111206

SCHEMBL9111206

CN(C)C(=CC=O)c1ccnc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
RECQL P46063 1/20 0.36
SMARCA2 P51531 3/20 0.35
SMARCA4 P51532 3/20 0.35
PROKR1 Q8TCW9 1/20 0.33
GRM5 P41594 1/20 0.33
LOX P28300 1/20 0.33
LOXL3 P58215 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
FGFR4 P22455 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GFER P55789 1/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL23649485 0.82 UHRF1 (0.38) SMARCA2SMARCA4PROKR1CCNCCDK8
SCHEMBL9111262 0.77 NAPRT (0.47) LMNASMN1; SMN2
SCHEMBL26603874 0.76 ALDH1A1 (0.48) GRM5FGFR4LMNASMN1; SMN2
SCHEMBL4926597 0.76 TAS1R3 (0.44) CYP11B1CYP11B2TAS1R3TAS1R1TAS1R2
SCHEMBL22492769 0.75 HTT (0.46) LMNASMN1; SMN2
SCHEMBL5242504 0.75 HTT (0.46) LMNASMN1; SMN2
SCHEMBL7020743 0.74 MAPT (0.44) CYP11B1CYP11B2LMNASMN1; SMN2
SCHEMBL5760035 0.74 KMT2A (0.46) LMNASMN1; SMN2
SCHEMBL22394878 0.73 KCNQ3 (0.38) PROKR1
SCHEMBL4734324 0.71 UHRF1 (0.37) LMNASMN1; SMN2

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-0672035-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
EP-0672041-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
WO-1995009847-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO disclosed
WO-1995009853-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO disclosed