SCHEMBL1941801

SCHEMBL1941801

COc1cccc(NC(=O)Nc2cccc(C(=O)c3cn(C4CCCC4)c4ncnc(N)c34)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.77
ERBB2 P04626 8/20 0.77
ERBB3 P21860 8/20 0.77
ERBB4 Q15303 8/20 0.77
TEK Q02763 8/20 0.77
KDR P35968 2/20 0.75
SRC P12931 6/20 0.56
ABL1 P00519 5/20 0.56
ABL2 P42684 5/20 0.56
RET P07949 4/20 0.56
PDGFRB P09619 1/20 0.54
CHKA P35790 1/20 0.53
LCK P06239 1/20 0.49
KIT P10721 1/20 0.48

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
SCHEMBL1941726 0.96 EGFR (0.76) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941236 0.94 EGFR (0.81) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940354 0.92 EGFR (0.80) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940554 0.92 EGFR (0.79) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941327 0.92 EGFR (0.86) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1942783 0.92 EGFR (0.77) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940709 0.91 TEK (0.86) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939671 0.91 TEK (0.75) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941005 0.91 EGFR (0.82) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941575 0.90 EGFR (0.87) 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