SCHEMBL30713630

SCHEMBL30713630

CC(C(N)=O)c1c[nH]c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.51
CAMKK2 Q96RR4 2/20 0.50
GRM8 O00222 1/20 0.48
GRM4 Q14833 1/20 0.48
MTNR1A P48039 1/20 0.46
KMT2A Q03164 1/20 0.45
AXL P30530 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
NEK2 P51955 1/20 0.44
PLK1 P53350 1/20 0.44
MET P08581 4/20 0.42
LRRK2 Q5S007 1/20 0.42
ADORA2A P29274 1/20 0.40
CNR2 P34972 1/20 0.40
TGFBR1 P36897 1/20 0.40
PDPK1 O15530 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40

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
SCHEMBL27750328 1.00 MAP2K1 (0.51) MAP2K1CAMKK2GRM8GRM4MTNR1A
SCHEMBL27678813 0.88 MAP2K1 (0.54) MAP2K1CAMKK2GRM8GRM4MTNR1A
SCHEMBL4190015 0.87 MAP2K1 (0.52) MAP2K1CAMKK2GRM8GRM4MTNR1A
SCHEMBL4201283 0.84 MAP2K1 (0.57) MAP2K1CAMKK2GRM8GRM4MTNR1A
SCHEMBL4792749 0.80 GRM8 (0.45) MAP2K1CAMKK2GRM8GRM4MTNR1A
SCHEMBL27590571 0.80 AXL (0.51) MAP2K1CAMKK2GRM8GRM4MTNR1A
SCHEMBL12491066 0.80 AXL (0.51) MAP2K1CAMKK2GRM8GRM4MTNR1A
SCHEMBL30068926 0.79 AXL (0.55) MAP2K1GRM8GRM4MTNR1AKMT2A
SCHEMBL820352 0.79 AXL (0.55) MAP2K1GRM8GRM4MTNR1AKMT2A
SCHEMBL18135257 0.79 GRM8 (0.54) MAP2K1CAMKK2GRM8GRM4MTNR1A

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