SCHEMBL29051907

SCHEMBL29051907

CS(=O)(=O)Nc1nccnc1COc1nc(Nc2ccc3c(c2)CCN(C(=O)O)C3)ncc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.45
▸ FLT3 P36888 8/20 0.44
▸ CHEK1 O14757 3/20 0.44
▸ ALK Q9UM73 4/20 0.43
▸ INSR P06213 3/20 0.43
▸ AXL P30530 2/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ JAK2 O60674 5/20 0.41
▸ MET P08581 1/20 0.40
▸ WEE1 P30291 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40

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
SCHEMBL29051724 0.90 FLT3 (0.46) BTKFLT3CHEK1ALKINSR
SCHEMBL29051729 0.82 FLT3 (0.48) BTKFLT3CHEK1JAK2JAK1
SCHEMBL29051884 0.82 FLT3 (0.45) FLT3CHEK1JAK2TYK2
SCHEMBL29052199 0.81 FLT3 (0.49) FLT3CHEK1AXLTYRO3MERTK
SCHEMBL29052266 0.80 INSR (0.46) BTKFLT3CHEK1ALKINSR
SCHEMBL29052136 0.79 FLT3 (0.46) BTKFLT3CHEK1JAK2
SCHEMBL29052409 0.79 FLT3 (0.44) FLT3CHEK1JAK2JAK1TYK2
SCHEMBL29051738 0.76 PTK2 (0.50) BTKFLT3CHEK1ALKINSR
SCHEMBL29051940 0.75 FLT3 (0.46) BTKFLT3CHEK1ALKINSR
SCHEMBL29051841 0.74 CDK4 (0.45) FLT3CHEK1

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-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 — — CN disclosed
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