SCHEMBL7990813

SCHEMBL7990813

O=c1cc(-c2ccncc2)[nH]c(NCCCc2c[nH]c3ccccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
GSK3B P49841 2/20 0.42
EIF2AK2 P19525 1/20 0.42
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
CDK2 P24941 1/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
SLC2A1 P11166 1/20 0.42
RAD52 P43351 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL7993029 0.94 GPR84 (0.50) GPR84GSK3BEIF2AK2CDK4CCND1
SCHEMBL7992854 0.82 GPR84 (0.41) GPR84KMT2AMEN1
SCHEMBL7978256 0.81 HTR2A (0.43) GPR84KMT2AMEN1HTR6HTR1A
SCHEMBL7990994 0.81 HTR2A (0.52) KMT2AMEN1HTR1A
SCHEMBL7992535 0.81 PTGDR (0.50) CDK2KMT2AMEN1HTR6
SCHEMBL7996376 0.79 POLB (0.53) KMT2APOLBHDAC3HDAC4HDAC1
SCHEMBL5390245 0.76 PRKCA (0.43) GPR84GSK3BCDK2KMT2APOLB
SCHEMBL7989807 0.74 CDC7 (0.39) GPR84GSK3BKMT2AMEN1
SCHEMBL7996288 0.73 MTNR1A (0.46) GSK3B
SCHEMBL8805136 0.72 HTR2A (0.55) KMT2APOLBSLC2A1RAD52HDAC3

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 1 patent. 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 disclosed