SCHEMBL7993029

SCHEMBL7993029

O=c1cc(-c2ccncc2)[nH]c(NCCc2c[nH]c3ccccc23)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.50
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
SLC2A1 P11166 1/20 0.48
RAD52 P43351 1/20 0.48
EIF2AK2 P19525 2/20 0.48
MEN1 O00255 1/20 0.46
GSK3B P49841 1/20 0.46
GBA1 P04062 1/20 0.46
NQO1 P15559 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HTR6 P50406 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL7990813 0.94 GPR84 (0.43) GPR84KMT2APOLBSLC2A1RAD52
SCHEMBL7978256 0.87 HTR2A (0.43) GPR84KMT2AMEN1HTR6HTR1A
SCHEMBL7990994 0.84 HTR2A (0.52) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL7992535 0.84 PTGDR (0.50) KMT2AMEN1HTR6ALDH1A1HTR2A
SCHEMBL7996376 0.84 POLB (0.53) KMT2APOLBMEN1KDM4E
SCHEMBL7990800 0.76 GPR84 (0.49) GPR84KMT2AGSK3B
SCHEMBL7992854 0.75 GPR84 (0.41) GPR84KMT2AMEN1NPC1RAB9A
SCHEMBL5375269 0.73 CDC7 (0.43) GSK3B
SCHEMBL7978450 0.73 GPR84 (0.44) GPR84GSK3BKDM4E
SCHEMBL7993027 0.73 CA1 (0.40) KMT2AMEN1GSK3BGBA1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001070727-A1 2-(ARYLALKYLAMINO)PYRIMIDONE DERIVATIVES AND 2-(HETEROARYLALKYLAMINO)PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 WO claimed
WO-2001070727-A1 2-(ARYLALKYLAMINO)PYRIMIDONE DERIVATIVES AND 2-(HETEROARYLALKYLAMINO)PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 WO disclosed