SCHEMBL20138979

SCHEMBL20138979

C=CC(=O)Nc1cccc(Nc2ncnc3[nH]c(-c4cccnc4)cc23)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.54
PIK3CD O00329 2/20 0.52
PLCG1 P19174 1/20 0.52
SRC P12931 4/20 0.52
EGFR P00533 10/20 0.50
ERBB2 P04626 3/20 0.50
FYN P06241 3/20 0.50
BLK P51451 1/20 0.50
BMX P51813 1/20 0.50
JAK3 P52333 1/20 0.50
ERBB4 Q15303 1/20 0.50
VCP P55072 1/20 0.49
KIT P10721 2/20 0.48
KCNH2 Q12809 1/20 0.48
BRAF P15056 1/20 0.48
TNNI3K Q59H18 1/20 0.48

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
SCHEMBL20150708 0.95 PIK3CD (0.54) BTKPIK3CDPLCG1SRCEGFR
SCHEMBL20139048 0.89 SRC (0.59) BTKPIK3CDSRCEGFRERBB2
SCHEMBL20143667 0.88 PIK3CD (0.56) BTKPIK3CDSRCEGFRERBB2
SCHEMBL20139002 0.86 PIK3CD (0.55) BTKPIK3CDSRCEGFRERBB2
SCHEMBL20138990 0.84 EGFR (0.54) BTKPIK3CDSRCEGFRERBB2
SCHEMBL20139785 0.84 SRC (0.58) BTKPIK3CDPLCG1SRCEGFR
SCHEMBL20139118 0.83 EGFR (0.64) BTKPIK3CDSRCEGFRERBB2
SCHEMBL20139031 0.83 JAK2 (0.57) BTKPIK3CDSRCEGFRERBB2
SCHEMBL20138993 0.82 PIK3CD (0.52) BTKPIK3CDSRCEGFRERBB2
SCHEMBL20150571 0.82 PIK3CD (0.51) BTKPIK3CDSRCEGFRERBB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018088780-A1 NOVEL PYRROLOPYRIMIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-05-17 WO claimed
WO-2018088780-A1 NOVEL PYRROLOPYRIMIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-05-17 WO disclosed
WO-2018088780-A1 NOVEL PYRROLOPYRIMIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-05-17 WO disclosed