SCHEMBL9837203

SCHEMBL9837203

Cc1cnc(N2C(=O)c3ccccc3C2=O)c(CCl)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.36
HTT P42858 1/20 0.36
AR P10275 1/20 0.36
ALPL P05186 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.35
TLR9 Q9NR96 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 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
SCHEMBL10731348 0.85 RXFP1 (0.38) RXFP1KMT2AMEN1HTTAR
SCHEMBL9835282 0.84 HTT (0.37) KMT2AMEN1HTTARALPL
SCHEMBL9837109 0.81 HTT (0.36) RXFP1KMT2AMEN1HTTAR
SCHEMBL9835091 0.80 HTT (0.35) KMT2AMEN1HTTARALPL
SCHEMBL9833927 0.80 HCRTR1 (0.44) RXFP1KMT2AMEN1HTTAR
SCHEMBL9835112 0.77 CASP3 (0.38) RXFP1KMT2AMEN1HTTAR
SCHEMBL9834126 0.77 AR (0.39) RXFP1KMT2AMEN1HTTAR
SCHEMBL23860977 0.70 KMT2A (0.45) RXFP1KMT2AMEN1ARALPL
SCHEMBL30133429 0.70 KMT2A (0.45) RXFP1KMT2AMEN1ARALPL
SCHEMBL9834075 0.69 RXFP1 (0.39) RXFP1KMT2AMEN1HTTAR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175263-B1 2-AMINO-3-CHLOROMETHYL-5-(DICHLOROMETHYL)-PYRAZINES AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1991-06-05 EP disclosed
US-4692527-A 2-amino-3,5-di-(halomethyl)-pyrazines and their preparation BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0175263-A2 2-Amino-3-chloromethyl-5-(dichloromethyl)-pyrazines and process for their preparation BASF Aktiengesellschaft (DE) 1986-03-26 EP disclosed