SCHEMBL31598282

SCHEMBL31598282

Cc1nc(C2C=CCN2C(=O)OC(C)(C)C)ncc1F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.33
ALK Q9UM73 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR119 Q8TDV5 7/20 0.33
CKS1B P61024 2/20 0.32
SKP1 P63208 2/20 0.32
SKP2 Q13309 2/20 0.32
PREP P48147 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31

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
SCHEMBL31597669 0.84 PREP (0.34) HDAC1MEN1KMT2AGPR119CKS1B
SCHEMBL31598413 0.81 TRPV3 (0.36) MEN1KMT2AGPR119LMNANPSR1
SCHEMBL30745382 0.76 MEN1 (0.36) MEN1KMT2AGPR119CKS1BSKP1
SCHEMBL31597791 0.74 LMNA (0.35) MEN1KMT2AGPR119LMNANPSR1
SCHEMBL31598218 0.72 JAK1 (0.35) MEN1KMT2AGPR119JAK2JAK1
SCHEMBL17747329 0.72 TACR1 (0.41) HDAC1MEN1KMT2ANPSR1
SCHEMBL30358529 0.71 NTRK1 (0.39) ALKGPR119JAK2JAK1
SCHEMBL30358526 0.71 NTRK1 (0.39) ALKGPR119JAK2JAK1
SCHEMBL30745353 0.71 TRPV3 (0.44) MEN1KMT2AGPR119LMNAGRM5
SCHEMBL28977444 0.71 NTRK1 (0.39) ALKGPR119JAK2JAK1

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-111655695-B Substituted furopyrimidine compounds as PDE1 inhibitors 达特神经科学有限公司 2025-05-27 CN disclosed