SCHEMBL31612664

SCHEMBL31612664

CC(C)(C)OC(=O)N1CCn2nc(-c3ncc(C(F)(F)F)cn3)nc2C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
GPR119 Q8TDV5 3/20 0.39
HDAC4 P56524 1/20 0.39
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
CYP8B1 Q9UNU6 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SYK P43405 2/20 0.36
STS P08842 1/20 0.36
PREP P48147 2/20 0.36
NR1H2 P55055 1/20 0.35
EIF2AK4 Q9P2K8 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL31612680 0.85 HDAC4 (0.48) MAPTGPR119HDAC4HDAC6
SCHEMBL31612666 0.81 TEAD1 (0.35) MAPT
SCHEMBL3133282 0.79 DPP4 (0.46) MAPTGPR119HDAC4SMN1; SMN2NR1H2
SCHEMBL15933477 0.79 HDAC4 (0.40) GPR119HDAC4CKS1BSKP1SKP2
SCHEMBL15933643 0.79 GPR119 (0.45) MAPTGPR119HDAC4CKS1BSKP1
SCHEMBL31612669 0.78 LMNA (0.34) HPGDSMN1; SMN2POLB
SCHEMBL17984905 0.78 ESR2 (0.40) MAPTHDAC4CKS1BSKP1SKP2
SCHEMBL20140942 0.77 CKS1B (0.49) MAPTGPR119HDAC4CKS1BSKP1
SCHEMBL15933678 0.77 CSNK1D (0.43) GPR119HDAC4CKS1BSKP1SKP2
SCHEMBL15933697 0.76 GPR119 (0.47) GPR119HDAC4CKS1BSKP1SKP2

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-120118087-A Preparation and application of PARP7 inhibitor 药雅科技(上海)有限公司 2025-06-10 CN disclosed