SCHEMBL17409487

SCHEMBL17409487

O=C(Nc1cccc(C#Cc2ccc3nccn3n2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 1.00
PDGFRB P09619 13/20 1.00
TEK Q02763 2/20 0.65
KIT P10721 2/20 0.65
BRAF P15056 2/20 0.65
FGFR1 P11362 1/20 0.65
PDGFRA P16234 1/20 0.65
FLT1 P17948 1/20 0.65
FGFR3 P22607 1/20 0.65
LCK P06239 1/20 0.55
DDR1 Q08345 1/20 0.52
DDR2 Q16832 1/20 0.52
ABL1 P00519 1/20 0.52
BCR P11274 1/20 0.52
MAPT P10636 1/20 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
SCHEMBL17409474 0.88 KDR (1.00) KDRPDGFRBTEKKITBRAF
SCHEMBL17409454 0.86 KDR (1.00) KDRPDGFRBKITDDR1
SCHEMBL17409485 0.84 KDR (1.00) KDRPDGFRB
SCHEMBL17409477 0.84 KDR (1.00) KDRPDGFRB
SCHEMBL17409464 0.83 KDR (1.00) KDRPDGFRB
SCHEMBL2515186 0.79 KDR (1.00) KDRPDGFRBTEKKITBRAF
SCHEMBL17409459 0.78 KDR (1.00) KDRPDGFRB
SCHEMBL2515438 0.77 KDR (1.00) KDRPDGFRBTEKKITBRAF
SCHEMBL17595123 0.76 RAF1 (0.68) KDRPDGFRBTEKKITBRAF
SCHEMBL17409494 0.76 KDR (0.76) KDRPDGFRBTEKLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 US claimed
US-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 US disclosed
US-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 US disclosed
US-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 US disclosed