SCHEMBL4753408

SCHEMBL4753408

CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(OC)cc32)c1-c1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.79
PRKAA1 Q13131 11/20 0.71
PRKAA2 P54646 10/20 0.71
PDGFRB P09619 7/20 0.71
FGFR1 P11362 5/20 0.71
FLT3 P36888 4/20 0.71
CSF1R P07333 3/20 0.71
AURKB Q96GD4 3/20 0.71
EGFR P00533 3/20 0.71
PLK4 O00444 2/20 0.71
DCLK1 O15075 2/20 0.71
PDPK1 O15530 2/20 0.71
DAPK3 O43293 2/20 0.71
ROCK2 O75116 2/20 0.71
RPS6KA5 O75582 2/20 0.71
RPS6KA4 O75676 2/20 0.71
MAP4K4 O95819 2/20 0.71
CHEK2 O96017 2/20 0.71
NTRK1 P04629 2/20 0.71
INSR P06213 2/20 0.71

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
SCHEMBL13981873 0.95 KDR (0.76) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL4788742 0.92 KDR (0.81) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL4788738 0.92 KDR (0.81) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL4882336 0.91 KDR (0.72) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL4882329 0.91 KDR (0.72) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL15202707 0.88 KDR (0.71) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL4923372 0.88 KDR (0.78) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL4923367 0.88 KDR (0.78) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL4810472 0.88 KDR (0.80) KDRPRKAA1PRKAA2PDGFRBFGFR1
SCHEMBL4810470 0.88 KDR (0.80) KDRPRKAA1PRKAA2PDGFRBFGFR1

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 2 patents. 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 claimed
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