SCHEMBL27432836

SCHEMBL27432836

CCOc1cc2ncc(C#N)c(N(C)c3ccc(Cl)c(Cl)c3)c2cc1OCC

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STK4 Q13043 2/20 0.55
▸ SRC P12931 11/20 0.52
▸ EGFR P00533 6/20 0.50
▸ ERBB2 P04626 5/20 0.50
▸ MAP2K1 Q02750 1/20 0.43
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ FLT1 P17948 1/20 0.40

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
SCHEMBL27480999 0.85 STK4 (0.55) STK4SRCEGFRERBB2MAP2K1
SCHEMBL27433614 0.85 STK4 (0.55) STK4SRCEGFRERBB2MAP2K1
SCHEMBL6382054 0.84 STK4 (0.73) STK4SRCEGFRERBB2MAP2K1
SCHEMBL27460476 0.82 EGFR (0.61) STK4SRCEGFRERBB2
SCHEMBL27458919 0.77 STK4 (0.55) STK4SRCEGFRERBB2MAP2K1
SCHEMBL4742017 0.75 SRC (0.59) STK4SRCEGFRERBB2MAP2K1
SCHEMBL6382357 0.74 SRC (0.61) STK4SRCEGFRERBB2MAP2K1
SCHEMBL27482851 0.73 STK4 (0.56) STK4SRCEGFRERBB2MAP2K1
SCHEMBL4776150 0.72 MAP3K8 (0.47) STK4SRCEGFRERBB2MAP2K1
SCHEMBL22419654 0.71 STK4 (1.00) STK4EGFRERBB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1121391-C Substituted 3-cyano quinolines AMERICAN CYANAMID CO (US) 2003-09-17 — — CN claimed
CN-1259125-A Substituted 3-cyanoquinolines AMERICAN CYANAMID CO (US) 2000-07-05 — — CN claimed
CN-1121391-C Substituted 3-cyano quinolines AMERICAN CYANAMID CO (US) 2003-09-17 — — CN disclosed
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