SCHEMBL30142877

SCHEMBL30142877

C[C@H](CC(=O)O)c1c(I)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.47
MAP4K4 O95819 1/20 0.41
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ACHE P22303 1/20 0.39
GPR119 Q8TDV5 6/20 0.39
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
GBA1 P04062 2/20 0.38
TLR9 Q9NR96 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL16719386 1.00 KIT (0.47) KITMAP4K4CKS1BSKP1SKP2
SCHEMBL16755406 1.00 KIT (0.47) KITMAP4K4CKS1BSKP1SKP2
SCHEMBL17771848 0.91 KIT (0.46) KITMAP4K4CKS1BSKP1SKP2
SCHEMBL15390121 0.90 KIT (0.46) KITMAP4K4CKS1BSKP1SKP2
SCHEMBL16719642 0.90 KIT (0.46) KITMAP4K4CKS1BSKP1SKP2
SCHEMBL30571385 0.90 KIT (0.46) KITMAP4K4CKS1BSKP1SKP2
SCHEMBL16784356 0.89 KIT (0.43) KITMAP4K4CKS1BSKP1SKP2
SCHEMBL18950223 0.88 KIT (0.48) KITMAP4K4CKS1BSKP1SKP2
SCHEMBL19295448 0.88 KIT (0.42) KITMAP4K4CKS1BSKP1SKP2
SCHEMBL16616053 0.88 KIT (0.47) KITMAP4K4CKS1BSKP1SKP2

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-112898210-B Process for preparing pyrimidinylcyclopentane compounds 豪夫迈·罗氏有限公司 2025-02-21 CN disclosed
CN-110590606-B Process for preparing pyrimidylcyclopentane compounds 豪夫迈·罗氏有限公司 2023-02-17 CN disclosed