SCHEMBL29620732

SCHEMBL29620732

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)c2cnn[nH]2)C(F)(F)F)cc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TMEM97 Q5BJF2 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
DYRK1A Q13627 1/20 0.31
CFTR P13569 3/20 0.31
GABRA5 P31644 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NAMPT P43490 1/20 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
SCHEMBL24345288 1.00 POLB (0.35) POLBTMEM97SIGMAR1DYRK1ACFTR
SCHEMBL24345698 1.00 POLB (0.35) POLBTMEM97SIGMAR1DYRK1ACFTR
SCHEMBL24345316 0.92 POLB (0.35) POLBTMEM97SIGMAR1DYRK1ACFTR
SCHEMBL29620716 0.92 POLB (0.35) POLBTMEM97SIGMAR1DYRK1ACFTR
SCHEMBL24345858 0.92 POLB (0.35) POLBTMEM97SIGMAR1DYRK1ACFTR
SCHEMBL24345870 0.91 POLB (0.36) POLBDYRK1ACFTRGABRA5MEN1
SCHEMBL24345459 0.90 POLB (0.39) POLBDYRK1ACFTRGABRA5MEN1
SCHEMBL24345472 0.89 POLB (0.35) POLBDYRK1AMEN1HPGDKMT2A
SCHEMBL24346314 0.89 POLB (0.35) POLBDYRK1AMEN1HPGDKMT2A
SCHEMBL29620707 0.89 POLB (0.35) POLBDYRK1AMEN1HPGDKMT2A

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-2022086840-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2022-04-28 WO disclosed