SCHEMBL13362122

SCHEMBL13362122

C1=CCCN(c2ccc3ncc4[nH]nc(N5CCOCC5)c4c3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 4/20 0.44
▸ FGFR1 P11362 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ PIK3CA P42336 2/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ ITK Q08881 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAPK10 P53779 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ LRRK2 Q5S007 2/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ PTK2 Q05397 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL1557547 0.94 PRKDC (0.48) PRKDCFGFR1FLT1PIK3CAPIK3CD
SCHEMBL2396779 0.73 LRRK2 (0.47) PRKDCPIK3CAPIK3CDPIK3CBMAPK1
SCHEMBL1558837 0.72 LRRK2 (0.43) PRKDCFGFR1FLT1PIK3CAPIK3CD
SCHEMBL2395048 0.67 HRH4 (0.55) MAPK1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL26912263 0.66 LRRK2 (0.57) FGFR1FLT1ITKMAPK1MAPK10
SCHEMBL1558730 0.65 GAA (0.47) PRKDCKDM4EMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL31543151 0.64 MAPK1 (0.49) MAPK1
SCHEMBL8871230 0.64 PIK3CD (0.80) PIK3CAPIK3CDPIK3CB
SCHEMBL18108512 0.64 PIK3CA (0.63) PRKDCPIK3CAPIK3CDPIK3CBPDE3B
SCHEMBL23999520 0.63 MAPKAPK2 (0.54) PRKDCPIK3CAPIK3CDPIK3CBMAPK1

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
WO-2009155527-A9 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2010-05-06 — — WO disclosed
WO-2009155527-A2 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2009-12-23 — — WO disclosed
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