SCHEMBL24747210

SCHEMBL24747210

CCNC(=O)c1ccc(Nc2cc(C(C)C)nc3cc[nH]c(=O)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.49
CDK8 P49336 1/20 0.38
JAK2 O60674 13/20 0.38
AURKA O14965 3/20 0.38
DAPK3 O43293 3/20 0.38
PAK4 O96013 3/20 0.38
RET P07949 3/20 0.38
LTK P29376 3/20 0.38
KDR P35968 3/20 0.38
MAP2K2 P36507 3/20 0.38
MAPK8 P45983 3/20 0.38
MAPK9 P45984 3/20 0.38
CLK2 P49760 3/20 0.38
RPS6KA3 P51812 3/20 0.38
JAK3 P52333 3/20 0.38
CDK5 Q00535 3/20 0.38
MAP2K1 Q02750 3/20 0.38
MST1R Q04912 3/20 0.38
PTK2 Q05397 3/20 0.38
MAP4K2 Q12851 3/20 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
SCHEMBL30316224 1.00 TYK2 (0.49) TYK2CDK8JAK2AURKADAPK3
SCHEMBL30316447 0.87 TYK2 (0.44) TYK2CDK8JAK2JAK3CYP17A1
SCHEMBL24746286 0.87 TYK2 (0.44) TYK2CDK8JAK2JAK3CYP17A1
SCHEMBL24747221 0.81 TYK2 (0.76) TYK2CDK8JAK2AURKADAPK3
SCHEMBL24746092 0.80 TYK2 (0.51) TYK2JAK2JAK3JAK1
SCHEMBL30316492 0.80 TYK2 (0.51) TYK2JAK2JAK3JAK1
SCHEMBL12928940 0.67 ZAP70 (0.61) TYK2CDK8JAK2AURKADAPK3
SCHEMBL24745848 0.67 ZAP70 (0.50) TYK2JAK2JAK3ZAP70JAK1
SCHEMBL24746066 0.67 BRAF (0.35) TYK2JAK2JAK1
SCHEMBL24745795 0.67 TYK2 (0.41) TYK2AURKAKDRMAP4K4NPC1

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-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed