SCHEMBL31312781

SCHEMBL31312781

CCOC(=O)c1nc2cccnn2c1C1CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.67
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4B Q07343 9/20 0.42
PDE4D Q08499 9/20 0.42
PDE4C Q08493 8/20 0.42
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
NTRK1 P04629 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL17492384 0.81 PDE4A (0.76) PDE4APTGS1PTGS2PDE4BPDE4D
SCHEMBL17492366 0.81 PDE4A (1.00) PDE4APTGS1PTGS2PDE4BPDE4D
SCHEMBL9893269 0.79 PTGS1 (0.60) PDE4APTGS1PTGS2PDE4BGAA
SCHEMBL17508883 0.79 PDE4B (0.50) PDE4APDE4BPDE4DPDE4C
SCHEMBL2067935 0.76 PDE4A (0.67) PDE4APTGS1PTGS2PDE4BPDE4D
SCHEMBL2066273 0.76 PDE4A (0.67) PDE4APTGS1PTGS2PDE4BPDE4D
SCHEMBL9923880 0.75 PTGS1 (0.58) PDE4APTGS1PTGS2PDE4BGAA
SCHEMBL25527779 0.74 PDE4A (0.65) PDE4AGAACYP1A2ALDH1A1MAPT
SCHEMBL17492367 0.74 PDE4B (0.69) PDE4APDE4BPDE4DPDE4C
SCHEMBL17492380 0.71 PDE4B (0.64) PDE4APTGS1PTGS2PDE4BPDE4D

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-114929708-B 4- [ [ (7-Aminopyrazolo [1,5-a ] pyrimidin-5-yl) amino ] methyl ] piperidin-3-ol compounds and their therapeutic uses 卡里克治疗有限公司 2025-02-18 CN disclosed