SCHEMBL1796453

SCHEMBL1796453

Cc1cc(-c2cc(C)nc(C(=O)Nc3ccnc(Cl)c3)c2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 7/20 0.61
SMARCA4 P51532 6/20 0.61
SORT1 Q99523 2/20 0.49
GRM5 P41594 3/20 0.46
HDAC4 P56524 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
PORCN Q9H237 1/20 0.43

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
SCHEMBL1797503 0.96 SMARCA2 (0.60) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1794469 0.96 SMARCA2 (0.56) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1794228 0.94 SMARCA2 (0.58) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1793750 0.92 SORT1 (0.53) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1798756 0.88 GRM5 (0.54) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1793992 0.88 SMARCA2 (0.47) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1797439 0.87 SMARCA2 (0.49) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1792980 0.87 GRM5 (0.58) SMARCA2SMARCA4GRM5HDAC4
SCHEMBL1796391 0.86 SMARCA2 (0.48) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1797222 0.85 SMARCA2 (0.49) SMARCA2SMARCA4GRM5PORCN

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
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 US claimed
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 US disclosed