SCHEMBL8221865

SCHEMBL8221865

CC[C@H](CN(C)c1ccnc(-c2cc(-c3cnn(CCN4CCOCC4)c3)ccc2O)n1)NC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 2/20 0.45
▸ PRKD1 Q15139 2/20 0.45
▸ PRKD2 Q9BZL6 2/20 0.45
▸ LIPC P11150 6/20 0.39
▸ LIPG Q9Y5X9 3/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ IKBKE Q14164 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KIT P10721 1/20 0.35
▸ WNT1 P04628 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ IRAK1 P51617 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
SCHEMBL4513765 0.89 PRKD3 (0.51) PRKD3PRKD1PRKD2LIPCLIPG
SCHEMBL4513754 0.89 PRKD3 (0.51) PRKD3PRKD1PRKD2LIPCLIPG
SCHEMBL4513736 0.89 PRKD3 (0.51) PRKD3PRKD1PRKD2LIPCLIPG
SCHEMBL4508519 0.75 PRKD3 (0.67) PRKD3PRKD1PRKD2MAP4K4WNT1
SCHEMBL4508525 0.75 PRKD3 (0.67) PRKD3PRKD1PRKD2MAP4K4WNT1
SCHEMBL4508530 0.75 PRKD3 (0.67) PRKD3PRKD1PRKD2MAP4K4WNT1
SCHEMBL4520418 0.68 PRKD3 (0.51) PRKD3PRKD1PRKD2MAPK1MAPT
SCHEMBL4520412 0.68 PRKD3 (0.51) PRKD3PRKD1PRKD2MAPK1MAPT
SCHEMBL4520417 0.68 PRKD3 (0.51) PRKD3PRKD1PRKD2MAPK1MAPT
SCHEMBL4514171 0.64 PRKD3 (0.45) PRKD3PRKD1PRKD2

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-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 — — WO disclosed
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