SCHEMBL31469355

SCHEMBL31469355

COc1cc2ncnc(-c3cn(C)nc3-c3cccnc3)c2cc1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
PDE10A Q9Y233 3/20 0.43
EGFR P00533 6/20 0.42
BRAF P15056 1/20 0.42
PDK1 Q15118 1/20 0.41
FYN P06241 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ROS1 P08922 1/20 0.38
PDPK1 O15530 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 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
SCHEMBL26112302 0.89 EGFR (0.47) ATMPDE10AEGFRBRAFPDE4A
SCHEMBL31469398 0.88 BRAF (0.47) ATMPDE10AEGFRBRAFPDE4A
SCHEMBL4778871 0.86 PDK1 (0.49) ATMPDE10AEGFRPDK1FYN
SCHEMBL31352777 0.85 EGFR (0.47) ATMPDE10AEGFRBRAFPDE4A
SCHEMBL26109496 0.85 EGFR (0.47) ATMPDE10AEGFRBRAFPDE4A
SCHEMBL26113098 0.81 KIT (0.48) ATMEGFRBRAF
SCHEMBL26117034 0.80 KIT (0.45) ATMEGFRBRAF
SCHEMBL26114386 0.79 EGFR (0.41) PDE10AEGFRBRAFPDE4APDE4B
SCHEMBL26111872 0.78 EGFR (0.38) ATMPDE10AEGFRBRAFPDE4A
SCHEMBL26111957 0.78 BRAF (0.42) PDE10AEGFRBRAFPDE4APDE4B

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
WO-2025080784-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2025-04-17 WO disclosed