SCHEMBL23219156

SCHEMBL23219156

CCOC(=O)Cc1ccccc1OCc1ccc(-c2nn(C(C)C)c3ccc(Br)cc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.42
▸ CMKLR1 Q99788 1/20 0.41
▸ PTGER1 P34995 8/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TBXAS1 P24557 1/20 0.39
▸ ELANE P08246 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ RET P07949 1/20 0.37
▸ MET P08581 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ FGFR1 P11362 1/20 0.37

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
SCHEMBL28736106 0.90 CMKLR1 (0.47) CFDCMKLR1PTGER1CYP1A2KDM4E
SCHEMBL23219154 0.88 CFD (0.40) CFDPTGER1CYP1A2TBXAS1ELANE
SCHEMBL29852929 0.86 CFD (0.46) CFDPTGER1CYP1A2TBXAS1ELANE
SCHEMBL23219066 0.86 CFD (0.46) CFDPTGER1CYP1A2TBXAS1ELANE
SCHEMBL29591752 0.86 CFD (0.46) CFDPTGER1CYP1A2TBXAS1ELANE
SCHEMBL31018839 0.79 CFD (0.44) CFDPTGER1CYP1A2TBXAS1ELANE
SCHEMBL29340543 0.79 CFD (0.44) CFDPTGER1CYP1A2TBXAS1ELANE
SCHEMBL29340529 0.79 CFD (0.44) CFDPTGER1CYP1A2TBXAS1ELANE
SCHEMBL31018835 0.79 CFD (0.44) CFDPTGER1CYP1A2TBXAS1ELANE
SCHEMBL23218845 0.79 TBXAS1 (0.42) CFDPTGER1CYP1A2TBXAS1ELANE

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-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 — — CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 — — WO disclosed
Send feedback