SCHEMBL3787698

SCHEMBL3787698

Fc1ccc(-c2nnc3nc(NC4CCCCC4)ncc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.46
ACP1 P24666 2/20 0.46
PAK1 Q13153 1/20 0.44
LATS1 O95835 1/20 0.44
LATS2 Q9NRM7 1/20 0.44
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
MERTK Q12866 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPK14 Q16539 1/20 0.41
GBA1 P04062 5/20 0.41
ULK1 O75385 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALOX5 P09917 1/20 0.39
HDAC1 Q13547 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL3793746 0.78 ADORA1 (0.35) HTR2CMERTKADORA1LMNAKMT2A
SCHEMBL3785163 0.78 KCNH3 (0.40) ACP1LATS1LATS2MAPK8MAPK9
SCHEMBL3787718 0.75 MEN1 (0.46) HDAC1KDM4ELMNAHTTKMT2A
SCHEMBL3782842 0.75 ALDH1A1 (0.51) LMNAKMT2A
SCHEMBL3782854 0.75 NPSR1 (0.39) PDE5AACP1HTR2AHTR2CMAPK8
SCHEMBL3784367 0.74 USP2 (0.51) LATS1MAPK8MAPK9ADORA1KDM4E
SCHEMBL3783305 0.72 MEN1 (0.49) PDE5AHTR2AHTR2CMAPK14GBA1
SCHEMBL3789583 0.71 MERTK (0.49) ACP1LATS1LATS2MERTKLMNA
SCHEMBL3710467 0.71 EGFR (0.46) HTR2AHTR2CMAPK8MAPK9ADORA3
SCHEMBL3784230 0.71 ALOX5 (0.42) HTR2AHTR2CADORA3ALOX5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed