SCHEMBL13417751

SCHEMBL13417751

O=C(Nc1cccc(C(OC[C@@H]2CCCN2)(C(F)(F)F)C(F)(F)F)c1)c1cccnc1NCc1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.57
ABL1 P00519 2/20 0.51
EGFR P00533 2/20 0.51
CSF1R P07333 2/20 0.51
PDGFRB P09619 2/20 0.51
KIT P10721 2/20 0.51
FLT1 P17948 2/20 0.51
FLT4 P35916 2/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RET P07949 2/20 0.48
MAP3K20 Q9NYL2 2/20 0.48

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
SCHEMBL3146966 1.00 KDR (0.57) KDRABL1EGFRCSF1RPDGFRB
SCHEMBL13417754 0.92 KDR (0.64) KDRABL1EGFRCSF1RPDGFRB
SCHEMBL3154240 0.92 KDR (0.64) KDRABL1EGFRCSF1RPDGFRB
SCHEMBL13417752 0.90 RXFP1 (0.45) KDRABL1EGFRCSF1RPDGFRB
SCHEMBL3159804 0.90 RXFP1 (0.45) KDRABL1EGFRCSF1RPDGFRB
SCHEMBL4973509 0.85 MEN1 (0.43) KDRFLT1MEN1ALDH1A1LMNA
SCHEMBL5012043 0.85 MEN1 (0.43) KDRFLT1MEN1ALDH1A1LMNA
SCHEMBL6013565 0.84 KDR (0.67) KDRABL1EGFRCSF1RPDGFRB
SCHEMBL186584 0.84 KDR (0.67) KDRABL1EGFRCSF1RPDGFRB
SCHEMBL6013568 0.83 KDR (0.55) KDRABL1EGFRCSF1RPDGFRB

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
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed