SCHEMBL6220940

SCHEMBL6220940

COc1cccc(N(C(N)=O)c2cc(C(=O)c3cn(C(C)C)c4ncnc(N)c34)ccc2OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.48
PDPK1 O15530 2/20 0.44
NTRK1 P04629 4/20 0.42
NTRK2 Q16620 3/20 0.42
NTRK3 Q16288 2/20 0.42
KCNH2 Q12809 3/20 0.41
RET P07949 3/20 0.41
KDR P35968 4/20 0.41
LCK P06239 4/20 0.41
TEK Q02763 3/20 0.41
ABL1 P00519 3/20 0.41
SRC P12931 7/20 0.40
EGFR P00533 3/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CG P48736 3/20 0.39
PRKDC P78527 3/20 0.39
HCK P08631 2/20 0.39
MTOR P42345 2/20 0.39

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
SCHEMBL6223880 0.92 PDGFRB (0.49) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL6222997 0.92 NTRK1 (0.48) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL6220911 0.92 PDGFRB (0.53) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL6223276 0.91 PDGFRB (0.46) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL6218885 0.89 NTRK1 (0.47) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL5350777 0.88 PDGFRB (0.49) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL6224467 0.87 NTRK1 (0.50) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL6220539 0.87 PDGFRB (0.55) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL6222445 0.86 NTRK1 (0.46) PDGFRBPDPK1NTRK1NTRK2NTRK3
SCHEMBL5364437 0.86 NTRK1 (0.48) PDGFRBPDPK1NTRK1NTRK2NTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578751-A1 PYRROLOPYRIMIDINE DERIVATIVES Pfizer Products Inc. (US) 2005-09-28 EP claimed
WO-2004056830-A1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-07-08 WO claimed
EP-1578751-A1 PYRROLOPYRIMIDINE DERIVATIVES Pfizer Products Inc. (US) 2005-09-28 EP disclosed
WO-2004056830-A1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed