SCHEMBL1941297

SCHEMBL1941297

Nc1ncnc2c1c(C(=O)c1ccc(NCc3cc(F)ccc3F)cc1)cn2C1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.63
▸ ERBB2 P04626 9/20 0.63
▸ ERBB3 P21860 9/20 0.63
▸ ERBB4 Q15303 9/20 0.63
▸ TEK Q02763 8/20 0.63
▸ KDR P35968 1/20 0.57
▸ RET P07949 6/20 0.49
▸ BTK Q06187 3/20 0.47
▸ LCK P06239 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ NTRK1 P04629 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL1940390 0.91 EGFR (0.68) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940714 0.87 EGFR (0.54) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941521 0.86 EGFR (0.73) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941218 0.83 EGFR (0.70) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939527 0.83 EGFR (0.62) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941067 0.82 EGFR (0.75) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940246 0.81 EGFR (0.75) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941181 0.79 EGFR (0.74) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941449 0.78 EGFR (0.71) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941336 0.78 EGFR (0.66) 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
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