SCHEMBL31268633

SCHEMBL31268633

COc1cc2nc(C)nc(O)c2cc1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.51
PDE4D Q08499 3/20 0.51
TNFSF11 O14788 1/20 0.47
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ELANE P08246 1/20 0.40
TSHR P16473 1/20 0.40
EGFR P00533 3/20 0.40
KRAS P01116 1/20 0.40
SOS1 Q07889 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
FBP1 P09467 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
NR3C1 P04150 1/20 0.38
ABCB1 P08183 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL26604365 1.00 PDE4A (0.51) PDE4APDE4DTNFSF11KMT2ASMN1; SMN2
SCHEMBL372023 0.88 PDE4A (0.62) PDE4APDE4DKMT2ASMN1; SMN2PDE3B
SCHEMBL28486664 0.84 PDE4A (0.47) PDE4APDE4DTNFSF11KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL29127441 0.83 PDE4A (0.46) PDE4APDE4DTNFSF11KMT2ASMN1; SMN2
SCHEMBL24792134 0.79 PDE4A (0.51) PDE4APDE4DPDE3BPDE3AEGFR
SCHEMBL30014476 0.79 PDE4A (0.51) PDE4APDE4DPDE3BPDE3AEGFR
SCHEMBL27118706 0.79 PDE4A (0.51) PDE4APDE4DPDE3BPDE3AEGFR
SCHEMBL217338 0.78 PDE10A (0.52) TNFSF11EGFRKDR
Hydrochloric Acid SCHEMBL28016254 0.77 PDE10A (0.51) TNFSF11EGFRKDR
SCHEMBL24791028 0.76 PDE4A (0.49) PDE4APDE4DKMT2APDE3BPDE3A

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-119095849-A Macrocyclic heterocycles and uses thereof 金橘生物科技公司 2024-12-06 CN disclosed