SCHEMBL27586498

SCHEMBL27586498

CCC(CCC=O)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT14 O95848 2/20 0.58
▸ NUDT5 Q9UKK9 2/20 0.58
▸ BTK Q06187 13/20 0.52
▸ EGFR P00533 5/20 0.50
▸ LCK P06239 5/20 0.50
▸ SRC P12931 5/20 0.50
▸ JAK3 P52333 4/20 0.50
▸ ITK Q08881 4/20 0.50
▸ ABL1 P00519 3/20 0.50
▸ HCK P08631 2/20 0.50
▸ PIK3CD O00329 2/20 0.50
▸ PIK3CA P42336 2/20 0.50
▸ PIK3CB P42338 2/20 0.50
▸ PIK3CG P48736 2/20 0.50
▸ PRKDC P78527 2/20 0.50
▸ KDR P35968 1/20 0.50
▸ MTOR P42345 1/20 0.50
▸ EPHB4 P54760 1/20 0.50
▸ PI4KB Q9UBF8 1/20 0.50
▸ LYN P07948 1/20 0.50

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
SCHEMBL19176242 0.81 NUDT14 (0.58) NUDT14NUDT5BTKEGFRLCK
SCHEMBL1614407 0.81 SRC (0.49) NUDT14NUDT5BTKEGFRLCK
SCHEMBL27604369 0.80 ABL1 (0.57) EGFRLCKSRCABL1HCK
SCHEMBL25069027 0.80 SRC (0.76) NUDT14NUDT5EGFRLCKSRC
SCHEMBL22364026 0.80 FYN (0.55) EGFRSRCABL1HCKPIK3CD
SCHEMBL23223317 0.79 NUDT14 (0.50) NUDT14NUDT5BTKEGFRLCK
SCHEMBL16078942 0.79 BTK (0.53) NUDT14NUDT5BTKEGFRLCK
SCHEMBL17723004 0.77 SRC (0.52) NUDT14NUDT5BTKEGFRLCK
SCHEMBL28747962 0.76 NUDT14 (0.61) NUDT14NUDT5BTKEGFRLCK
SCHEMBL27604421 0.76 RET (0.40) EGFRLCKSRCJAK3ABL1

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
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 — — CN disclosed
Send feedback