SCHEMBL1383789

SCHEMBL1383789

Cc1cc(NC(=O)c2nccnc2Nc2ccccc2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.51
SORT1 Q99523 3/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
ATR Q13535 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
JAK2 O60674 1/20 0.45
TYK2 P29597 1/20 0.45
PRKCI P41743 3/20 0.45
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL1385162 0.81 GRM4 (0.61) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL17685495 0.79 PORCN (0.49) GRM5SORT1MEN1KMT2AALDH1A1
SCHEMBL3989785 0.78 JAK2 (0.60) SORT1MEN1KMT2AMAPTSMARCA2
SCHEMBL12595503 0.78 RAB9A (0.60) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL24010657 0.77 BRAF (0.57) MEN1KMT2AALDH1A1MAPT
SCHEMBL30290919 0.77 BRAF (0.57) MEN1KMT2AALDH1A1MAPT
SCHEMBL30232524 0.77 KCNK3 (0.55) MEN1KMT2AJAK2
SCHEMBL24003834 0.77 KCNK3 (0.55) MEN1KMT2AJAK2
SCHEMBL1761110 0.77 SORT1 (0.60) GRM5SORT1MEN1KMT2AALDH1A1
SCHEMBL9828922 0.76 SMARCA2 (0.69) SORT1MEN1KMT2AMAPTSMARCA2

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
JP-4774410-B2 2011-09-14 JP claimed
US-7947685-B2 Pyrazine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed