SCHEMBL30713640

SCHEMBL30713640

C#CCC(O)Cc1c[nH]c2ncccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.55
MET P08581 1/20 0.49
MTNR1A P48039 1/20 0.46
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
DRD4 P21917 5/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
LRRK2 Q5S007 1/20 0.42
AXL P30530 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
HTR1A P08908 4/20 0.40
HTR2A P28223 4/20 0.40
KMT2A Q03164 1/20 0.39
MAP2K1 Q02750 1/20 0.39
HTR7 P34969 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL30713653 0.83 GPR84 (0.58) GPR84METMTNR1AITGB2ICAM1
SCHEMBL30713622 0.78 GPR84 (0.46) GPR84METMTNR1ALRRK2AXL
SCHEMBL27252804 0.75 GPR84 (0.67) GPR84METMTNR1AITGB2ICAM1
SCHEMBL18181377 0.75 GPR84 (0.67) GPR84METMTNR1AITGB2ICAM1
SCHEMBL24301144 0.75 SMN1; SMN2 (0.61) GPR84METMTNR1AITGB2ICAM1
SCHEMBL858027 0.74 GPR84 (0.61) GPR84METMTNR1AITGB2ICAM1
SCHEMBL2217980 0.74 GPR84 (0.76) GPR84METMTNR1ADRD4DRD2
SCHEMBL6091363 0.74 GPR84 (0.56) GPR84METMTNR1AITGB2ICAM1
SCHEMBL1176817 0.73 GPR84 (0.59) GPR84METMTNR1AITGB2ICAM1
SCHEMBL878881 0.73 GPR84 (0.59) GPR84METMTNR1ADRD4DRD2

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
CN-117295746-A HPK1 inhibitor and application thereof in medicine 贝达药业股份有限公司 2023-12-26 CN disclosed