SCHEMBL1939461

SCHEMBL1939461

COc1ccc(C)cc1NC(=O)Nc1cccc(C(=O)c2cn(C3CCCC3)c3ncnc(N)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 1.00
ERBB2 P04626 8/20 1.00
ERBB3 P21860 8/20 1.00
ERBB4 Q15303 8/20 1.00
TEK Q02763 7/20 1.00
KDR P35968 2/20 0.68
PDGFRB P09619 1/20 0.49
RET P07949 5/20 0.49
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KIT P10721 1/20 0.47
FLT3 P36888 1/20 0.47
SRC P12931 2/20 0.46
LCK P06239 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TP53 P04637 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
SCHEMBL1940742 0.98 EGFR (0.97) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941327 0.93 EGFR (0.86) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940709 0.93 TEK (0.86) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941688 0.91 EGFR (0.86) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941234 0.90 EGFR (0.81) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941864 0.90 EGFR (0.83) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940963 0.90 EGFR (1.00) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940966 0.89 EGFR (0.83) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940004 0.89 EGFR (0.82) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940354 0.89 EGFR (0.80) EGFRERBB2ERBB3ERBB4TEK

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
EP-1578751-B1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PROD INC (US) 2011-06-15 EP disclosed