SCHEMBL29829512

SCHEMBL29829512

Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(C(F)(F)F)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 11/20 0.48
▸ MAPT P10636 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ SPR P35270 3/20 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
SCHEMBL29829391 0.94 NT5E (0.49) NT5EMAPTKDM4CSPR
SCHEMBL29829678 0.89 NT5E (0.51) NT5EMAPTKDM4C
SCHEMBL29829627 0.84 NT5E (0.48) NT5EMAPTKDM4C
SCHEMBL29829491 0.83 NT5E (0.51) NT5EMAPTKDM4C
SCHEMBL24394575 0.82 NT5E (0.54) NT5EMAPTKDM4C
SCHEMBL29564913 0.82 NT5E (0.48) NT5EMAPTKDM4C
SCHEMBL29564755 0.82 NT5E (0.46) NT5EMAPTKDM4C
SCHEMBL29564749 0.81 NT5E (0.45) NT5E
SCHEMBL24394522 0.80 NT5E (0.52) NT5EMAPTKDM4C
SCHEMBL29829241 0.80 NT5E (0.52) NT5EMAPTKDM4C

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-2022195499-A1 SUBSTITUTED PYRIDAZINE COMPOUNDS AS CD73 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-09-22 — — WO disclosed
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