SCHEMBL30760149

SCHEMBL30760149

Cc1cnccc1-c1ccc([C@@H](N)CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.46
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
DPP4 P27487 1/20 0.41
RPS6KA3 P51812 3/20 0.40
CHEK1 O14757 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40
PRKX P51817 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
SCHEMBL30760043 1.00 MAPK1 (0.46) MAPK1CCNCCDK8DPP4RPS6KA3
SCHEMBL30760322 0.81 DPP4 (0.60) CCNCCDK8DPP4RPS6KA3MAP4K4
SCHEMBL21202128 0.79 GRM4 (0.51) MAPK1CCNCCDK8RPS6KA3CHEK1
SCHEMBL13310660 0.78 RPS6KA3 (0.43) MAPK1CCNCCDK8RPS6KA3CHEK1
SCHEMBL30760076 0.76 MAPK1 (0.60) MAPK1CCNCCDK8RPS6KA3CHEK1
SCHEMBL25660590 0.75 SIRT3 (0.38) MAPK1CCNCCDK8RPS6KA3SIRT3
SCHEMBL25301558 0.74 CCNC (0.46) MAPK1CCNCCDK8RPS6KA3GRM4
SCHEMBL30522564 0.74 CCNC (0.46) MAPK1CCNCCDK8RPS6KA3GRM4
SCHEMBL30760303 0.74 HDAC4 (0.47) MAPK1CLK4TDP1ABL1
SCHEMBL13347733 0.74 RPS6KA3 (0.51) MAPK1CCNCCDK8RPS6KA3CHEK1

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-2024040080-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2024-02-22 WO disclosed