SCHEMBL1940959

SCHEMBL1940959

Nc1ncnc2c1c(C(=O)c1cccc(NC(=O)Nc3ccc(F)cc3F)c1)cn2C1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.80
ERBB2 P04626 9/20 0.80
ERBB3 P21860 9/20 0.80
ERBB4 Q15303 9/20 0.80
TEK Q02763 8/20 0.80
KDR P35968 1/20 0.80
NTRK1 P04629 1/20 0.54
NTRK3 Q16288 1/20 0.54
NTRK2 Q16620 1/20 0.54
RET P07949 2/20 0.51
PDGFRB P09619 1/20 0.50
NEK7 Q8TDX7 7/20 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
SCHEMBL1941183 0.94 EGFR (0.86) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941123 0.93 EGFR (0.86) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1942784 0.92 EGFR (0.84) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941067 0.91 EGFR (0.75) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939939 0.91 EGFR (0.84) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939639 0.91 EGFR (0.73) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940925 0.91 EGFR (0.78) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940262 0.90 EGFR (0.83) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1942598 0.89 EGFR (0.74) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941228 0.89 EGFR (1.00) 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