SCHEMBL29568612

SCHEMBL29568612

CC(C)(C)OC(=O)n1nc(N)c2ccc(Br)cc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.67
CDK5 Q00535 1/20 0.67
TYRO3 Q06418 1/20 0.67
MAP2K4 P45985 1/20 0.39
USP30 Q70CQ3 2/20 0.39
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
AAK1 Q2M2I8 2/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
F12 P00748 1/20 0.35
ELANE P08246 1/20 0.34
P2RX3 P56373 1/20 0.34
NR1H2 P55055 2/20 0.34
BACE1 P56817 2/20 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
SCHEMBL1941881 1.00 PDGFRA (0.67) PDGFRACDK5TYRO3MAP2K4USP30
SCHEMBL29439761 0.90 PDGFRA (0.52) PDGFRACDK5TYRO3MAP2K4USP30
SCHEMBL1943689 0.90 PDGFRA (0.52) PDGFRACDK5TYRO3MAP2K4USP30
SCHEMBL13737806 0.85 PDGFRA (0.47) PDGFRACDK5TYRO3MAP2K4SMARCA2
SCHEMBL11232 0.85 PDGFRA (0.47) PDGFRACDK5TYRO3MAP2K4USP30
SCHEMBL18764614 0.84 PDGFRA (0.46) PDGFRACDK5TYRO3MAP2K4USP30
SCHEMBL16355545 0.84 PDGFRA (0.59) PDGFRACDK5TYRO3USP30AAK1
SCHEMBL11750740 0.84 PDGFRA (0.46) PDGFRACDK5TYRO3MAP2K4SMARCA2
SCHEMBL6480204 0.84 PDGFRA (0.46) PDGFRACDK5TYRO3MAP2K4SMARCA2
SCHEMBL31182074 0.83 PDGFRA (0.45) PDGFRACDK5TYRO3MAP2K4USP30

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-3956315-A1 BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS Rottapharm Biotech S.r.l. (IT) 2022-02-23 EP disclosed