SCHEMBL28712152

SCHEMBL28712152

Cc1cnc(Nc2cnn(C3CCN(C=O)CC3)c2)nc1-c1ccc(O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYLK4 Q86YV6 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.45
▸ CDK4 P11802 3/20 0.44
▸ CDK6 Q00534 3/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ PIK3CD O00329 3/20 0.44
▸ CSF1R P07333 2/20 0.44
▸ IGF1R P08069 8/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ MELK Q14680 2/20 0.41
▸ AXL P30530 1/20 0.41
▸ JAK1 P23458 1/20 0.41

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
SCHEMBL22544592 0.90 CDK4 (0.49) MYLK4STK17ACDK4CDK6CDK2
SCHEMBL29754277 0.90 CDK4 (0.49) MYLK4STK17ACDK4CDK6CDK2
SCHEMBL22544564 0.90 CDK4 (0.54) MYLK4STK17ACDK4CDK6CDK2
SCHEMBL29754222 0.90 CDK4 (0.54) MYLK4STK17ACDK4CDK6CDK2
SCHEMBL22544822 0.88 IGF1R (0.53) CDK2IGF1RCDK1CDK8CDK7
SCHEMBL22546075 0.88 IGF1R (0.46) MYLK4STK17ACDK4CDK6CDK2
SCHEMBL29754173 0.88 IGF1R (0.46) MYLK4STK17ACDK4CDK6CDK2
SCHEMBL22544566 0.86 JAK3 (0.51) MYLK4STK17ACDK4CDK6CDK2
SCHEMBL22544658 0.85 IGF1R (0.44) MYLK4STK17ACDK4CDK6CDK2
SCHEMBL27275338 0.83 IGF1R (0.46) MYLK4STK17ACDK2IGF1RCDK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113993861-B Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-05-14 — — CN disclosed
CN-113993861-A Phenylethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives and compositions and methods thereof 凌科药业(杭州)有限公司 2022-01-28 — — CN disclosed
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