SCHEMBL20140159

SCHEMBL20140159

C=CC(=O)Nc1cccc(Nc2ncnc3[nH]c(-c4ccc(N5CCOCC5)nc4)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.53
JAK2 O60674 4/20 0.50
JAK1 P23458 4/20 0.50
JAK3 P52333 4/20 0.50
BTK Q06187 4/20 0.49
PIK3CD O00329 2/20 0.49
CSF1R P07333 1/20 0.49
PTK2 Q05397 1/20 0.46
SRC P12931 1/20 0.45
TTK P33981 1/20 0.44

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
SCHEMBL29538618 0.90 JAK1 (0.59) EGFRJAK2JAK1JAK3BTK
SCHEMBL20139429 0.90 JAK1 (0.59) EGFRJAK2JAK1JAK3BTK
SCHEMBL20139063 0.87 JAK1 (0.57) EGFRJAK2JAK1JAK3BTK
SCHEMBL20150991 0.85 EGFR (0.53) EGFRJAK2JAK1JAK3BTK
SCHEMBL20138988 0.84 EGFR (0.60) EGFRJAK3BTKPIK3CDCSF1R
SCHEMBL21484316 0.84 EGFR (0.50) EGFRJAK2JAK1JAK3BTK
SCHEMBL20143667 0.82 PIK3CD (0.56) EGFRJAK3BTKPIK3CDCSF1R
SCHEMBL20150470 0.82 EGFR (0.57) EGFRJAK2JAK3BTKCSF1R
SCHEMBL21484334 0.81 ERBB2 (0.62) EGFRJAK2JAK3SRC
SCHEMBL20139025 0.81 CSF1R (0.56) EGFRJAK3BTKPIK3CDCSF1R

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