SCHEMBL30713622

SCHEMBL30713622

C#CCC(O)c1c[nH]c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
GRM8 O00222 1/20 0.45
GRM4 Q14833 1/20 0.45
LRRK2 Q5S007 1/20 0.44
AXL P30530 1/20 0.44
MET P08581 4/20 0.41
KMT2A Q03164 1/20 0.41
MAP2K1 Q02750 1/20 0.40
MTNR1A P48039 1/20 0.39
PDPK1 O15530 2/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CDC7 O00311 1/20 0.39
CAMKK2 Q96RR4 2/20 0.38
TGFBR1 P36897 1/20 0.38

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
SCHEMBL30713687 0.82 LRRK2 (0.50) GPR84GRM8GRM4LRRK2AXL
SCHEMBL27764321 0.81 GPR84 (0.50) GPR84GRM8GRM4LRRK2AXL
SCHEMBL14665063 0.81 GPR84 (0.50) GPR84GRM8GRM4LRRK2AXL
SCHEMBL857209 0.78 MET (0.56) GPR84GRM8GRM4LRRK2AXL
SCHEMBL27500637 0.78 GRM8 (0.48) GPR84GRM8GRM4LRRK2AXL
SCHEMBL27524118 0.78 GRM8 (0.48) GPR84GRM8GRM4LRRK2AXL
SCHEMBL30713640 0.78 GPR84 (0.55) GPR84LRRK2AXLMETKMT2A
SCHEMBL12491066 0.75 AXL (0.51) GPR84GRM8GRM4LRRK2AXL
SCHEMBL858688 0.75 MET (0.52) GPR84GRM8GRM4AXLMET
SCHEMBL31358333 0.74 GPR84 (0.43) GPR84GRM8GRM4LRRK2AXL

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