SCHEMBL6620154

SCHEMBL6620154

COc1cc(-c2cc[c]cc2)ccc1OCCC1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
QPCT Q16769 4/20 0.43
EGFR P00533 3/20 0.42
FGFR1 P11362 2/20 0.42
FLT1 P17948 2/20 0.42
FLT4 P35916 2/20 0.42
KDR P35968 2/20 0.42
CTSS P25774 1/20 0.42
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
ABL2 P42684 1/20 0.40
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL6311181 0.82 DRD2 (0.43) DRD2DRD4QPCTEGFRFGFR1
SCHEMBL3142209 0.81 NPC1 (0.44)
SCHEMBL6318991 0.79 KDM4E (0.49) DRD2DRD4QPCTEGFRFGFR1
SCHEMBL3146491 0.79 LTA4H (0.46)
SCHEMBL6620152 0.77 QPCT (0.42) DRD2DRD4QPCTEGFRFGFR1
SCHEMBL12993148 0.77 DRD2 (0.53) DRD2DRD4
SCHEMBL9020733 0.74 HPGD (0.41) HPGD
SCHEMBL28467263 0.72 PDE4A (0.52) HPGD
SCHEMBL322590 0.72 PDE4A (0.52) HPGD
SCHEMBL21462366 0.71 KDM4E (0.42) DRD2DRD4

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-1418916-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Amgen Inc. (US) 2004-05-19 EP disclosed
WO-2003018022-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AMGEN INC. (US) 2003-03-06 WO disclosed