SCHEMBL13632517

SCHEMBL13632517

Oc1ccc(Nc2ccnc(Cl)c2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.46
▸ SMARCA2 P51531 8/20 0.43
▸ SMARCA4 P51532 7/20 0.43
▸ TNIK Q9UKE5 3/20 0.42
▸ SCN9A Q15858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ S1PR1 P21453 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
SCHEMBL13632608 0.81 GRM4 (0.46) GRM4SMARCA2SMARCA4TNIKKDM4E
SCHEMBL3996779 0.77 FGFR2 (0.47) MAPT
SCHEMBL15542524 0.75 TDP1 (0.45) GRM4SMARCA2SMARCA4RECQLKDM4E
SCHEMBL13621844 0.75 EPHX2 (0.50) GRM4SMARCA2SMARCA4SCN9A
SCHEMBL3997045 0.74 GRM4 (0.50) GRM4MAPT
SCHEMBL14294396 0.72 APP (0.56) TNIKMEN1MAPTKMT2A
SCHEMBL14300020 0.72 TXN (0.54) GRM4TNIKKDM4EMEN1MAPT
SCHEMBL1415496 0.72 ALDH1A1 (0.52) GRM4SMARCA2SMARCA4CHEK1KDM4E
SCHEMBL2486834 0.71 GRM4 (0.52) GRM4TNIKKDM4EMEN1NPC1
SCHEMBL3946380 0.69 HTR3E (0.55) GRM4MEN1NPC1KMT2A

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
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 — — US disclosed
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