SCHEMBL6222997

SCHEMBL6222997

COc1ccc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc1N(C(N)=O)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.48
NTRK2 Q16620 3/20 0.48
NTRK3 Q16288 2/20 0.48
PDGFRB P09619 1/20 0.48
KCNH2 Q12809 3/20 0.47
PDPK1 O15530 5/20 0.41
RET P07949 4/20 0.40
EIF2AK3 Q9NZJ5 1/20 0.39
TEK Q02763 3/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
ERBB3 P21860 1/20 0.39
ERBB4 Q15303 1/20 0.39
LCK P06239 4/20 0.38
KDR P35968 2/20 0.38
AKT1 P31749 3/20 0.38
MTOR P42345 3/20 0.38
SRC P12931 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL6220940 0.92 PDGFRB (0.48) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL6224467 0.91 NTRK1 (0.50) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL6223880 0.91 PDGFRB (0.49) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL6220911 0.91 PDGFRB (0.53) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL6218885 0.89 NTRK1 (0.47) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL6222445 0.89 NTRK1 (0.46) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL5364437 0.88 NTRK1 (0.48) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL6223276 0.87 PDGFRB (0.46) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL5350777 0.87 PDGFRB (0.49) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL6220539 0.87 PDGFRB (0.55) NTRK1NTRK2NTRK3PDGFRBKCNH2

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