SCHEMBL1940692

SCHEMBL1940692

Nc1ncnc2c1c(C(=O)c1cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c1)cn2C1CCCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.78
ERBB2 P04626 9/20 0.78
ERBB3 P21860 9/20 0.78
ERBB4 Q15303 9/20 0.78
TEK Q02763 9/20 0.78
KDR P35968 4/20 0.78
PDGFRB P09619 1/20 0.52
RET P07949 5/20 0.50
ITK Q08881 1/20 0.48
NTRK1 P04629 2/20 0.47
AURKA O14965 2/20 0.47
AURKB Q96GD4 2/20 0.47
CDK19 Q9BWU1 1/20 0.47
KIT P10721 1/20 0.47
LCK P06239 2/20 0.47
SRC P12931 1/20 0.47
DCLK1 O15075 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 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
SCHEMBL1941365 0.94 EGFR (0.81) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939343 0.93 EGFR (0.75) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941575 0.90 EGFR (0.87) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939954 0.90 EGFR (0.75) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1942784 0.89 EGFR (0.84) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941005 0.89 EGFR (0.82) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941076 0.89 EGFR (0.79) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940262 0.88 EGFR (0.83) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939939 0.88 EGFR (0.84) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941146 0.88 EGFR (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578751-B1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PROD INC (US) 2011-06-15 EP disclosed
CN-1726218-A Pyrrolopyrimidine derivatives PFIZER PROD INC (US) 2006-01-25 CN disclosed