SCHEMBL30224316

SCHEMBL30224316

Fc1ccc(-c2ccnc(Cl)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.42
MAPK14 Q16539 5/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DHFR P00374 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
CXCL12 P48061 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL3273312 1.00 KMO (0.42) KMOMAPK14MAPK13MAPK12MAPK11
SCHEMBL16242291 0.81 KMO (0.47) KMOKDM4EMEN1USP2ALDH1A1
SCHEMBL29275465 0.80 PARP10 (0.40) MAPK14MAPK13MAPK12MAPK11PARP10
SCHEMBL28105602 0.80 KMO (0.50) KMOKDM4EMEN1USP2ALDH1A1
SCHEMBL15673169 0.80 IDO1 (0.44) MAPK14ACMSDIDO1ALOX5APFEN1
SCHEMBL16150623 0.79 ADORA2A (0.41) KMOKDM4EMEN1USP2ALDH1A1
SCHEMBL27664998 0.79 LOXL2 (0.45) MAPK14MAPK13MAPK12MAPK11PARP10
SCHEMBL2370541 0.79 AAK1 (0.49) GRM5
SCHEMBL26606822 0.79 KMO (0.42) KMOKDM4EMEN1USP2ALDH1A1
SCHEMBL4932513 0.77 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11ALDH1A1

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-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed