SCHEMBL1942596

SCHEMBL1942596

Nc1ncnc2c1c(C(=O)c1ccccc1NC(=O)Nc1ccc(F)cc1F)cn2C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.61
▸ ERBB2 P04626 8/20 0.61
▸ ERBB3 P21860 8/20 0.61
▸ ERBB4 Q15303 8/20 0.61
▸ TEK Q02763 7/20 0.61
▸ KDR P35968 1/20 0.61
▸ RET P07949 2/20 0.52
▸ NTRK1 P04629 1/20 0.52
▸ NTRK3 Q16288 1/20 0.52
▸ NTRK2 Q16620 1/20 0.52
▸ NEK7 Q8TDX7 9/20 0.51

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
SCHEMBL1941067 0.88 EGFR (0.75) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940959 0.88 EGFR (0.80) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941717 0.85 EGFR (0.66) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940714 0.83 EGFR (0.54) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941123 0.82 EGFR (0.86) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941183 0.81 EGFR (0.86) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940517 0.80 RET (0.60) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939985 0.79 EGFR (0.54) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941101 0.79 EGFR (0.56) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939639 0.79 EGFR (0.73) 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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