SCHEMBL6620152

SCHEMBL6620152

COc1cc(C2=CC=CC[CH]2)ccc1OCCC1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 6/20 0.42
CTSS P25774 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
EGFR P00533 2/20 0.39
FGFR1 P11362 2/20 0.39
FLT1 P17948 2/20 0.39
FLT4 P35916 2/20 0.39
KDR P35968 2/20 0.39
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
ABL2 P42684 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6620154 0.77 DRD2 (0.44) QPCTCTSSDRD2DRD4EGFR
SCHEMBL6318991 0.75 KDM4E (0.49) QPCTDRD2DRD4EGFRFGFR1
SCHEMBL17980640 0.74 CTSB (0.39) SMN1; SMN2HPGD
SCHEMBL12993148 0.73 DRD2 (0.53) DRD2DRD4ADRA1AADRA1B
SCHEMBL6311181 0.68 DRD2 (0.43) QPCTCTSSDRD2DRD4EGFR
SCHEMBL4377475 0.65 EGFR (0.64) EGFRFGFR1FLT1FLT4KDR
SCHEMBL1332177 0.64 ABCB1 (0.60) DRD2DRD4ADRA1AADRA1B
SCHEMBL12344806 0.64 GAA (0.57) DRD2DRD4KDM4EHPGD
SCHEMBL24815311 0.62 TSHR (0.62)
SCHEMBL6313905 0.62 KDM4E (0.51) EGFRKDM4E

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