SCHEMBL29648005

SCHEMBL29648005

C=C(C(N)=O)c1ccc2cncnc2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.50
IMPDH2 P12268 1/20 0.41
BAZ1A Q9NRL2 1/20 0.39
CSNK2A2 P19784 3/20 0.38
CSNK2B P67870 3/20 0.38
NOTUM Q6P988 1/20 0.37
PRMT3 O60678 1/20 0.36
MGLL Q99685 1/20 0.36
HPGDS O60760 1/20 0.35
TDO2 P48775 1/20 0.35
CSNK2A1 P68400 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL27920449 0.88 EGFR (0.50) EGFRBAZ1ACSNK2A2CSNK2BMGLL
SCHEMBL2051696 0.84 EGFR (0.56) EGFRIMPDH2BAZ1ACSNK2A2CSNK2B
SCHEMBL29648012 0.81 EGFR (0.50) EGFRIMPDH2BAZ1ACSNK2A2CSNK2B
SCHEMBL12466410 0.79 EGFR (0.53) EGFRIMPDH2CSNK2A2CSNK2BCSNK2A1
SCHEMBL30533141 0.79 EGFR (0.53) EGFRIMPDH2CSNK2A2CSNK2BCSNK2A1
SCHEMBL28063529 0.78 EGFR (0.49) EGFRIMPDH2BAZ1ACSNK2A2CSNK2B
SCHEMBL29648047 0.78 HPGD (0.34) CSNK2A2CSNK2BHPGDSCSNK2A1
SCHEMBL24054680 0.78 EGFR (0.51) EGFRIMPDH2BAZ1ANOTUMPRMT3
SCHEMBL28850937 0.78 EGFR (0.51) EGFRIMPDH2BAZ1ACSNK2A2CSNK2B
SCHEMBL1105475 0.78 EGFR (0.51) EGFRIMPDH2BAZ1ANOTUMPRMT3

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
EP-3999498-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES Kinnate Biopharma Inc. (US) 2022-05-25 EP disclosed