SCHEMBL24746286

SCHEMBL24746286

CCNC(=O)c1ccc(Nc2cc(C(C)C)nc3cc[nH]c(=O)c23)nc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.44
JAK2 O60674 4/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
CDK8 P49336 1/20 0.40
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGDS O60760 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL30316447 1.00 TYK2 (0.44) TYK2JAK2JAK1JAK3CDK8
SCHEMBL24747210 0.87 TYK2 (0.49) TYK2JAK2JAK1JAK3CDK8
SCHEMBL30316224 0.87 TYK2 (0.49) TYK2JAK2JAK1JAK3CDK8
SCHEMBL30316114 0.78 BRAF (0.35) TYK2JAK2JAK1
SCHEMBL24746066 0.78 BRAF (0.35) TYK2JAK2JAK1
SCHEMBL24747223 0.75 TYK2 (0.46) TYK2
SCHEMBL30316297 0.75 TYK2 (0.46) TYK2
SCHEMBL24745833 0.74 MAP4K1 (0.47)
SCHEMBL24746072 0.74 CDK4 (0.45)
SCHEMBL30316534 0.74 CDK4 (0.45)

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