Pyrimidine

Pyrimidine

SCHEMBL7047852

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCC1.c1cncnc1

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.90
LCK P06239 4/20 0.90
LYN P07948 4/20 0.90
NUDT14 O95848 2/20 0.74
NUDT5 Q9UKK9 2/20 0.74
SRC P12931 3/20 0.69
KDR P35968 2/20 0.69
TEK Q02763 1/20 0.69
PIK3CD O00329 1/20 0.65
PIK3CA P42336 1/20 0.65
PIK3CB P42338 1/20 0.65
PIK3CG P48736 1/20 0.65
PRKDC P78527 1/20 0.65
EGFR P00533 5/20 0.65
TEC P42680 4/20 0.63
BMX P51813 4/20 0.63
ITK Q08881 3/20 0.63
BLK P51451 3/20 0.63
TXK P42681 2/20 0.63
FGFR2 P21802 2/20 0.63

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
SCHEMBL30586962 0.95 BTK (1.00) BTKLCKLYNNUDT14NUDT5
SCHEMBL6431516 0.95 BTK (1.00) BTKLCKLYNNUDT14NUDT5
SCHEMBL17713980 0.94 BTK (0.98) BTKLCKLYNNUDT14NUDT5
SCHEMBL15915382 0.87 BTK (0.84) BTKLCKLYNNUDT14NUDT5
SCHEMBL2631407 0.87 BTK (0.84) BTKLCKLYNNUDT14NUDT5
SCHEMBL5801169 0.86 BTK (0.82) BTKLCKLYNNUDT14NUDT5
SCHEMBL5803102 0.86 BTK (0.82) BTKLCKLYNNUDT14NUDT5
SCHEMBL22243281 0.86 BTK (0.82) BTKLCKLYNNUDT14NUDT5
SCHEMBL22243244 0.86 BTK (0.82) BTKLCKLYNNUDT14NUDT5
SCHEMBL29441896 0.86 BTK (0.82) BTKLCKLYNNUDT14NUDT5

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-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed