SCHEMBL1940714

SCHEMBL1940714

Nc1ncnc2c1c(C(=O)c1ccccc1NCc1cc(F)ccc1F)cn2C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.54
▸ ERBB2 P04626 8/20 0.54
▸ ERBB3 P21860 8/20 0.54
▸ ERBB4 Q15303 8/20 0.54
▸ TEK Q02763 7/20 0.54
▸ KDR P35968 1/20 0.53
▸ RET P07949 5/20 0.49
▸ BTK Q06187 4/20 0.47
▸ SRC P12931 2/20 0.45
▸ LCK P06239 1/20 0.45
▸ PDPK1 O15530 1/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ ABL2 P42684 1/20 0.43

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
SCHEMBL1941297 0.87 EGFR (0.63) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940390 0.86 EGFR (0.68) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941522 0.85 EGFR (0.55) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1942596 0.83 EGFR (0.61) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL27620922 0.78 EGFR (0.58) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940945 0.77 RET (0.59) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941183 0.75 EGFR (0.86) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940517 0.75 RET (0.60) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941717 0.75 EGFR (0.66) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941181 0.74 EGFR (0.74) 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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