SCHEMBL1797503

SCHEMBL1797503

Cc1cc(NC(=O)c2cc(-c3ccnc(Cl)c3)cc(C)n2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 4/20 0.60
SMARCA4 P51532 4/20 0.60
SORT1 Q99523 3/20 0.51
GRM5 P41594 3/20 0.44
ATR Q13535 1/20 0.43
HDAC4 P56524 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
PORCN Q9H237 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL1796453 0.96 SMARCA2 (0.61) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1794469 0.95 SMARCA2 (0.56) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1793750 0.94 SORT1 (0.53) SMARCA2SMARCA4SORT1GRM5ATR
SCHEMBL1794228 0.90 SMARCA2 (0.58) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1798756 0.84 GRM5 (0.54) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1793992 0.84 SMARCA2 (0.47) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1795233 0.84 GRM5 (0.56) SMARCA2SMARCA4SORT1GRM5ATR
SCHEMBL1795467 0.84 SORT1 (0.50) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1797439 0.84 SMARCA2 (0.49) SMARCA2SMARCA4SORT1GRM5HDAC4
SCHEMBL1799079 0.84 GRM5 (0.46) SMARCA2SMARCA4SORT1GRM5ATR

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