SCHEMBL5191007

SCHEMBL5191007

CCSc1nc(N)cc(-c2ccccc2Cc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
POLB P06746 2/20 0.39
MPO P05164 3/20 0.39
CYP3A4 P08684 2/20 0.39
TPO P07202 1/20 0.39
EPX P11678 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35

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
SCHEMBL28152070 0.79 ADCY10 (0.45) RAB9ANPC1SMN1; SMN2ADORA2AADORA1
SCHEMBL5191147 0.77 MPO (0.43) RAB9ANPC1SMN1; SMN2ADORA2AADORA1
SCHEMBL3602925 0.70 HSP90AA1 (0.51) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL8379832 0.70 ADORA2A (0.50) RAB9ANPC1SMN1; SMN2ADORA2AADORA1
SCHEMBL27787219 0.70 RAB9A (0.56) RAB9ANPC1SMN1; SMN2POLBCYP3A4
SCHEMBL3526925 0.70 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ADORA2AADORA1
SCHEMBL28151082 0.67 ADORA2A (0.52) RAB9ANPC1SMN1; SMN2ADORA2AADORA1
SCHEMBL10882423 0.66 RAB9A (1.00) RAB9ANPC1SMN1; SMN2POLBCYP3A4
SCHEMBL21223129 0.64 HTR2A (0.41) RAB9ANPC1SMN1; SMN2ADORA1MPO
SCHEMBL6229874 0.64 CALM1 (0.58) SMN1; SMN2CYP3A4MEN1KMT2A

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-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP disclosed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO disclosed