SCHEMBL1940004

SCHEMBL1940004

Cc1cccc(NC(=O)Nc2cccc(C(=O)c3cn(C4CCCC4)c4ncnc(N)c34)c2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.82
ERBB2 P04626 9/20 0.82
ERBB3 P21860 9/20 0.82
ERBB4 Q15303 9/20 0.82
TEK Q02763 9/20 0.82
KDR P35968 2/20 0.79
PDGFRB P09619 1/20 0.56
RET P07949 6/20 0.53
LCK P06239 1/20 0.53
SRC P12931 1/20 0.53
AURKA O14965 1/20 0.50
IKBKE Q14164 1/20 0.50
AURKB Q96GD4 1/20 0.50
FLT3 P36888 1/20 0.48
KIT P10721 1/20 0.47
PLK4 O00444 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
FES P07332 1/20 0.47
PIM1 P11309 1/20 0.47

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
SCHEMBL1939673 0.98 EGFR (0.80) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941407 0.96 EGFR (0.79) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940044 0.94 EGFR (0.84) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941005 0.93 EGFR (0.82) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941575 0.92 EGFR (0.87) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940966 0.92 EGFR (0.83) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941688 0.92 EGFR (0.86) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940221 0.92 EGFR (0.80) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940554 0.91 EGFR (0.79) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940508 0.91 EGFR (0.71) 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