SCHEMBL21089104

SCHEMBL21089104

Cc1c[nH]c2nc(Nc3ccc(F)c(F)c3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.60
DHFR P00374 2/20 0.48
RAPGEF4 Q8WZA2 1/20 0.44
ROCK2 O75116 4/20 0.43
CYP3A4 P08684 3/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TRPA1 O75762 4/20 0.39
EIF2AK2 P19525 1/20 0.37
HPGD P15428 1/20 0.35

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
SCHEMBL12128866 0.76 APP (0.81) APPDHFRKDM4EMAPTTRPA1
SCHEMBL12129574 0.75 APP (1.00) APPDHFRROCK2
SCHEMBL17805809 0.75 APP (0.75) APPDHFRRAPGEF4CYP3A4
SCHEMBL21089220 0.75 APP (0.75) APPCYP3A4
SCHEMBL12128973 0.74 APP (0.52) APPDHFRRAPGEF4ROCK2CYP3A4
SCHEMBL16943024 0.69 MAPT (0.52) APPMAPT
SCHEMBL7922469 0.66 ADORA2A (0.53) KDM4E
SCHEMBL29699563 0.65 DHFR (0.41) APPDHFRRAPGEF4KDM4EMAPT
SCHEMBL21088595 0.65 DHFR (0.46) APPDHFRRAPGEF4KDM4EMAPT
SCHEMBL2119807 0.65 SOS1 (0.61) APPDHFRRAPGEF4KDM4EMAPT

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
EP-2558446-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2019-06-12 EP disclosed