SCHEMBL27864336

SCHEMBL27864336

Cn1cc(-c2cc(Oc3cccc(NC(=O)Nc4ccc(I)c(C(F)(F)F)c4)c3)ccn2)cn1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.71
NTRK1 P04629 2/20 0.56
CSF1R P07333 3/20 0.52
PDGFRB P09619 3/20 0.52
PDGFRA P16234 3/20 0.52
MET P08581 2/20 0.52
FLT3 P36888 2/20 0.52
RET P07949 2/20 0.51
CDK8 P49336 2/20 0.47
EPHB2 P29323 1/20 0.47
CYP2C9 P11712 1/20 0.46

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
SCHEMBL27847472 0.91 KDR (0.72) KDRNTRK1CSF1RPDGFRBPDGFRA
SCHEMBL27864410 0.91 KDR (0.72) KDRNTRK1CSF1RPDGFRBPDGFRA
SCHEMBL28793967 0.91 KDR (0.72) KDRNTRK1CSF1RPDGFRBPDGFRA
SCHEMBL27847248 0.90 KDR (0.71) KDRNTRK1CSF1RPDGFRBPDGFRA
SCHEMBL27847250 0.90 KDR (0.87) KDRNTRK1RETCDK8
SCHEMBL27847260 0.87 KDR (0.67) KDRNTRK1CSF1RPDGFRBPDGFRA
SCHEMBL573353 0.84 KDR (0.74) KDRNTRK1CSF1RPDGFRBPDGFRA
SCHEMBL27866671 0.83 KDR (0.84) KDRPDGFRBPDGFRAFLT3RET
SCHEMBL5440735 0.83 KDR (0.61) KDRNTRK1CSF1RPDGFRBPDGFRA
SCHEMBL17179246 0.83 KDR (1.00) KDRNTRK1CSF1RPDGFRBPDGFRA

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
CN-102408408-A Aryl urea derivative with anti-tumor effect UNIV PEKING FOUNDER GROUP CO 2012-04-11 CN claimed
CN-102408408-A Aryl urea derivative with anti-tumor effect UNIV PEKING FOUNDER GROUP CO 2012-04-11 CN disclosed