SCHEMBL4753375

SCHEMBL4753375

CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(CCO)c32)c1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.64
PDGFRB P09619 6/20 0.64
EGFR P00533 4/20 0.64
PDGFRA P16234 2/20 0.64
PRKAA1 Q13131 13/20 0.61
PRKAA2 P54646 11/20 0.61
FGFR1 P11362 4/20 0.61
GRK5 P34947 3/20 0.52
PLK4 O00444 2/20 0.52
DCLK1 O15075 2/20 0.52
PDPK1 O15530 2/20 0.52
DAPK3 O43293 2/20 0.52
ROCK2 O75116 2/20 0.52
RPS6KA5 O75582 2/20 0.52
RPS6KA4 O75676 2/20 0.52
MAP4K4 O95819 2/20 0.52
CHEK2 O96017 2/20 0.52
NTRK1 P04629 2/20 0.52
INSR P06213 2/20 0.52
LCK P06239 2/20 0.52

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
SCHEMBL16090333 0.83 KDR (0.77) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL2436739 0.83 KDR (0.67) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL2436733 0.83 KDR (0.67) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL4866512 0.82 CDK2 (0.48) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL4888663 0.82 CDK2 (0.48) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL4806038 0.81 KDR (0.71) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL4806046 0.81 KDR (0.71) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL4751145 0.81 KDR (0.73) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL4815396 0.81 KDR (0.69) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL16137754 0.80 KDR (0.75) KDRPDGFRBEGFRPDGFRAPRKAA1

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
WO-2008145398-A1 4-ARYLPYRROLE SUBSTITUTED 2-INDOLINE DERIVATIVES ACTIVE AS PROTEIN KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2008-12-04 WO disclosed