SCHEMBL19915597

SCHEMBL19915597

N#Cc1ncc(-c2c(CBr)ncc3ccccc23)cn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ CTSS P25774 1/20 0.30
▸ NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL18464729 0.84 CHEK1 (0.37) KDM4EGPR3EGLN2ATMCYP11B1
SCHEMBL18464722 0.83 EGFR (0.40) ATMCYP11B1CYP11B2
SCHEMBL3971747 0.76 KDM4E (0.42) KDM4EGPR3ATML3MBTL1CYP11B1
SCHEMBL18425832 0.76 DHODH (0.40) KDM4EGPR3L3MBTL1
SCHEMBL18464716 0.75 CYP1A2 (0.43) KDM4EGPR3L3MBTL1
SCHEMBL18464723 0.74 TDP1 (0.48) KDM4EGPR3L3MBTL1
SCHEMBL18464720 0.73 CYP11B1 (0.37) KDM4EGPR3ALOX5APFEN1L3MBTL1
SCHEMBL18464633 0.72 GPR84 (0.39) KDM4EGPR3
SCHEMBL18464728 0.72 TACR1 (0.39) L3MBTL1
SCHEMBL18425748 0.71 PIK3CD (0.37) KDM4EGPR3

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-2018038667-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2018-03-01 — — WO disclosed
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