SCHEMBL30891817

SCHEMBL30891817

CCCn1c(C(=O)O)nc2nc(-c3cnn(Cc4ccc(C(F)(F)F)c(F)c4)c3)[nH]c2c1=O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.63
ADORA2A P29274 15/20 0.59
ADORA1 P30542 15/20 0.59
ADORA3 P0DMS8 10/20 0.54
PLK4 O00444 1/20 0.52
CDK2 P24941 1/20 0.52
IRAK1 P51617 1/20 0.52
RPS6KA3 P51812 1/20 0.52
PLK3 Q9H4B4 1/20 0.52
CSNK1G3 Q9Y6M4 1/20 0.52

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
SCHEMBL1724009 1.00 ADORA2B (0.63) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL1724060 0.88 ADORA2B (0.66) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL1724457 0.86 ADORA2B (0.63) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL30891844 0.86 ADORA2B (0.63) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL2685746 0.85 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL30891848 0.85 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL30891855 0.83 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL2684497 0.83 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL1724465 0.80 ADORA2B (0.71) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL1946224 0.78 ADORA2B (1.00) ADORA2BADORA2AADORA1ADORA3PLK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118001282-A Pharmaceutical composition for cancer treatment 因佩蒂斯生物科学有限公司 2024-05-10 CN claimed
CN-118001282-A Pharmaceutical composition for cancer treatment 因佩蒂斯生物科学有限公司 2024-05-10 CN disclosed