SCHEMBL30833769

SCHEMBL30833769

COc1cccc(CS(N)(=O)=O)c1Nc1nc(Nc2ccc3cnn(C)c3c2)ncc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.44
CDK19 Q9BWU1 2/20 0.44
ULK1 O75385 1/20 0.42
CDK2 P24941 7/20 0.42
CDK1 P06493 6/20 0.42
KDR P35968 6/20 0.42
SYK P43405 4/20 0.42
PTK2 Q05397 3/20 0.42
JAK3 P52333 2/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DCLK1 O15075 1/20 0.42
MAPK13 O15264 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL30833766 0.86 CDK19 (0.45) ALKCDK19ULK1SYKPTK2
SCHEMBL29190593 0.85 ALK (0.49) ALKCDK19ULK1CDK2CDK1
SCHEMBL30833691 0.79 ALK (0.44) ALKCDK19CDK2CDK1KDR
SCHEMBL30833715 0.75 SYK (0.46) ALKCDK19CDK2CDK1KDR
SCHEMBL30833647 0.74 ALK (0.46) ALKCDK19ULK1CDK2CDK1
SCHEMBL29190525 0.73 ALK (0.68) ALKCDK19ULK1CDK2CDK1
SCHEMBL30833701 0.73 ALK (0.68) ALKCDK19ULK1CDK2CDK1
SCHEMBL30833667 0.73 KDR (0.48) ULK1CDK2CDK1KDRPTK2
SCHEMBL29190704 0.71 ALK (0.49) ALKCDK19CDK2CDK1KDR
SCHEMBL30833810 0.71 ALK (0.49) ALKCDK19CDK2CDK1KDR

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-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed