SCHEMBL7130447

SCHEMBL7130447

Cc1c(Br)ccc2c1C(=Cc1c(F)cccc1F)C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.40
PDPK1 O15530 2/20 0.40
RET P07949 4/20 0.40
NPC1 O15118 1/20 0.38
CCNE2 O96020 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
PDGFRB P09619 2/20 0.38
EGFR P00533 1/20 0.38
PDGFRA P16234 1/20 0.38
ERBB2 P04626 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IKBKB O14920 1/20 0.36
FLT3 P36888 3/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL5366373 0.90 KDR (0.36) KDRPDPK1RETNPC1CCNE2
SCHEMBL7132017 0.86 NPC1 (0.44) KDRPDPK1RETNPC1CCNE2
SCHEMBL7131343 0.86 NPC1 (0.56) KDRPDPK1RETNPC1CCNE2
SCHEMBL5377075 0.84 NPC1 (0.42) KDRPDPK1RETNPC1CCNE2
SCHEMBL7136994 0.81 MAOA (0.44) KDRPDPK1RETPDGFRBMEN1
SCHEMBL7131380 0.81 IKBKB (0.35) KDRPDPK1RETNPC1PDGFRB
SCHEMBL5377025 0.80 RET (0.54) KDRRETNPC1PDGFRBEGFR
SCHEMBL7136802 0.80 LRRK2 (0.43) KDRRETCCNE2CCNE1CDK2
SCHEMBL7139913 0.79 RAF1 (0.42) RETPDGFRBEGFRMEN1KMT2A
SCHEMBL7138200 0.79 MEN1 (0.47) NPC1CCNE2CCNE1CDK2PDGFRB

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
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed