SCHEMBL6344248

SCHEMBL6344248

N#CCC(CC#N)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
CFTR P13569 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GOPC Q9HD26 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
KCNA5 P22460 7/20 0.42
KCNH2 Q12809 3/20 0.42
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNN4 O15554 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP11B2 P19099 1/20 0.38

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
SCHEMBL4452260 0.81 SMN1; SMN2 (0.50) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL12303932 0.81 CYP19A1 (0.47) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL4452256 0.81 SMN1; SMN2 (0.50) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL128718 0.81 CFTR (0.53) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL9175652 0.81 FDPS (0.48) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL12251226 0.79 CYP19A1 (0.45) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL19592373 0.78 CYP19A1 (0.44) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL18896339 0.75 CYP19A1 (0.42) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL7007862 0.74 ESR1 (0.47) SMN1; SMN2
SCHEMBL19592285 0.74 CTSL (0.43) CYP19A1SMN1; SMN2KCNA5KCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946554-B2 Process for the preparation of 9-deazaguanine derivatives BIOCRYST PHARMACEUTICALS, INC. (US) 2005-09-20 US disclosed
EP-0970029-A1 PROCESS FOR THE PREPARATION OF 9-DEAZAGUANINE DERIVATIVES BIOCRYST PHARMACEUTICALS INC. (US) 2000-01-12 EP disclosed
US-5650511-A MULTISTAGE REACTION OF ALDEHYDE OR KETONE WITH NITRILE GROUP TO FORM ENAMINE, REACTION OF ENAMINE WITH BASE TO FORM PYRROLE, THEN REACTION BIOCRYST PHARMACEUTICALS, INC. (US) 1997-07-22 US disclosed
WO-1997021653-A1 PROCESS FOR THE PREPARATION OF 9-DEAZAGUANINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 1997-06-19 WO disclosed