SCHEMBL1940709

SCHEMBL1940709

COc1ccccc1NC(=O)Nc1cccc(C(=O)c2cn(C3CCCC3)c3ncnc(N)c23)c1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 0.86
EGFR P00533 9/20 0.86
ERBB2 P04626 8/20 0.86
ERBB3 P21860 8/20 0.86
ERBB4 Q15303 8/20 0.86
KDR P35968 4/20 0.72
RET P07949 4/20 0.52
PDGFRB P09619 1/20 0.52
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
LCK P06239 3/20 0.48
SRC P12931 3/20 0.48
KIT P10721 1/20 0.46
BTK Q06187 1/20 0.46
ABL1 P00519 1/20 0.46
ABL2 P42684 1/20 0.46

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
SCHEMBL1940354 0.93 EGFR (0.80) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1941327 0.93 EGFR (0.86) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1939461 0.93 EGFR (1.00) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1940996 0.92 EGFR (0.74) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1941801 0.91 EGFR (0.77) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1940742 0.91 EGFR (0.97) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1941234 0.91 EGFR (0.81) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1941170 0.91 TEK (0.72) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1941726 0.91 EGFR (0.76) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1941020 0.90 EGFR (0.72) TEKEGFRERBB2ERBB3ERBB4

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