SCHEMBL13735233

SCHEMBL13735233

CN1CCN(c2ccc(-n3nccc3-c3cccc(S(F)(F)(F)(F)F)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FYN P06241 2/20 0.40
PIK3CD O00329 1/20 0.40
DGAT1 O75907 1/20 0.39
MELK Q14680 2/20 0.39
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
ADRA2C P18825 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL13734373 0.89 PTGS2 (0.43) NPC1SMN1; SMN2RAB9AALDH1A1TDP1
SCHEMBL13734733 0.82 NPC1 (0.56) MAP4K1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL13736077 0.82 PIK3CD (0.53) MAP4K1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL13733687 0.81 MAP4K1 (0.42) MAP4K1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL13733761 0.81 JAK2 (0.54) NPC1SMN1; SMN2RAB9AALDH1A1DGAT1
SCHEMBL13735060 0.80 ALDH1A1 (0.47) MAP4K1ALDH1A1FYNMELKMEN1
SCHEMBL28086120 0.78 FYN (0.40) MAP4K1ALDH1A1FYNMELKGAA
SCHEMBL13737467 0.77 NR3C2 (0.39) SMN1; SMN2ALDH1A1GAAMAPK8MAPK9
SCHEMBL13734515 0.77 MELK (0.57) MAP4K1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL27932777 0.75 PTGS2 (0.38) NPC1RAB9AALDH1A1TDP1MEN1

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
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed