SCHEMBL27433614

SCHEMBL27433614

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK4 Q13043 3/20 0.55
▸ EGFR P00533 14/20 0.52
▸ ERBB2 P04626 10/20 0.52
▸ SRC P12931 5/20 0.47
▸ STK25 O00506 1/20 0.40
▸ CIT O14578 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ GAK O14976 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ STK17B O94768 1/20 0.40
▸ STK10 O94804 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ FES P07332 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ YES1 P07947 1/20 0.40
▸ LYN P07948 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
SCHEMBL27432836 0.85 STK4 (0.55) STK4EGFRERBB2SRCABL1
SCHEMBL27480999 0.85 STK4 (0.55) STK4EGFRERBB2SRCMAP2K1
SCHEMBL6382054 0.84 STK4 (0.73) STK4EGFRERBB2SRCCSF1R
SCHEMBL27460476 0.82 EGFR (0.61) STK4EGFRERBB2SRCGAK
SCHEMBL27458919 0.77 STK4 (0.55) STK4EGFRERBB2SRCMAP2K1
SCHEMBL6380898 0.74 EGFR (0.62) STK4EGFRERBB2SRCMAP2K1
SCHEMBL4744821 0.74 EGFR (0.55) STK4EGFRERBB2SRC
SCHEMBL27482851 0.73 STK4 (0.56) STK4EGFRERBB2SRCCSF1R
SCHEMBL4776150 0.72 MAP3K8 (0.47) STK4EGFRERBB2SRCEIF2AK2
SCHEMBL22419654 0.71 STK4 (1.00) STK4EGFRERBB2STK3LRRK2

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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