SCHEMBL31086607

SCHEMBL31086607

CCc1cncc(Nc2cc(COc3ccc(N)c4ccccc34)ccn2)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCK P08631 8/20 0.35
MAPK12 P53778 8/20 0.35
MAPK14 Q16539 8/20 0.35
SRC P12931 2/20 0.35
IDO1 P14902 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GCK P35557 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EP300 Q09472 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
DHFR P00374 1/20 0.32
BRAF P15056 1/20 0.32
RIOK2 Q9BVS4 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
MAPK10 P53779 1/20 0.32
MAP4K1 Q92918 1/20 0.32

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
SCHEMBL17004772 1.00 HCK (0.35) HCKMAPK12MAPK14SRCIDO1
SCHEMBL17014136 0.89 HCK (0.37) HCKMAPK12MAPK14SRCMEN1
SCHEMBL17017528 0.88 HCK (0.35) HCKMAPK12MAPK14SRCMEN1
SCHEMBL28573504 0.87 HCK (0.38) HCKMAPK12MAPK14SRCMEN1
SCHEMBL17008542 0.86 HCK (0.35) HCKMAPK12MAPK14SRCBRAF
SCHEMBL17018876 0.86 MAPK14 (0.39) HCKMAPK12MAPK14SRCMEN1
SCHEMBL31086658 0.85 LRRK2 (0.41) HCKMAPK12MAPK14SRCIDO1
SCHEMBL17008501 0.85 LRRK2 (0.41) HCKMAPK12MAPK14SRCIDO1
SCHEMBL29711928 0.85 MAPK14 (0.45) HCKMAPK12MAPK14SRCBRAF
SCHEMBL17004776 0.84 MAPK14 (0.48) HCKMAPK12MAPK14SRCMEN1

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
CN-113264921-B Pyrazolyl-ureas as kinase inhibitors 瑞斯比维特有限公司 2024-09-13 CN disclosed