SCHEMBL20139788

SCHEMBL20139788

C=CC(=O)Nc1cccc(Nc2ncnc3[nH]c(-c4ccc(C5CCCCC5)cc4)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.49
CSF1R P07333 1/20 0.48
SRC P12931 5/20 0.48
EGFR P00533 10/20 0.47
BTK Q06187 2/20 0.47
KCNH2 Q12809 1/20 0.47
FYN P06241 4/20 0.47
ERBB2 P04626 3/20 0.47
BLK P51451 1/20 0.47
BMX P51813 1/20 0.47
JAK3 P52333 1/20 0.47
ERBB4 Q15303 1/20 0.47
BRAF P15056 3/20 0.46
TNNI3K Q59H18 3/20 0.46
VCP P55072 1/20 0.46

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
SCHEMBL20139025 0.92 CSF1R (0.56) PIK3CDCSF1RSRCEGFRBTK
SCHEMBL20139048 0.85 SRC (0.59) PIK3CDSRCEGFRBTKKCNH2
SCHEMBL21751160 0.82 CSF1R (0.47) PIK3CDCSF1RSRCEGFRBTK
SCHEMBL20139083 0.81 EGFR (0.70) PIK3CDSRCEGFRBTKKCNH2
SCHEMBL20150708 0.81 PIK3CD (0.54) PIK3CDSRCEGFRBTKKCNH2
SCHEMBL20150686 0.81 EGFR (0.50) PIK3CDCSF1RSRCEGFRBTK
SCHEMBL20143667 0.80 PIK3CD (0.56) PIK3CDCSF1RSRCEGFRBTK
SCHEMBL29538618 0.80 JAK1 (0.59) CSF1REGFRBTKERBB2JAK3
SCHEMBL20139429 0.80 JAK1 (0.59) CSF1REGFRBTKERBB2JAK3
SCHEMBL21484334 0.80 ERBB2 (0.62) SRCEGFRERBB2JAK3

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
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