SCHEMBL28021680

SCHEMBL28021680

O=C(Nc1nnc(Cc2ccncc2)c2ccccc12)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT1 P17948 14/20 0.54
▸ KDR P35968 14/20 0.54
▸ PDGFRB P09619 12/20 0.54
▸ KIT P10721 11/20 0.51
▸ CSF1R P07333 2/20 0.51
▸ FLT4 P35916 2/20 0.51
▸ CIT O14578 1/20 0.50
▸ EGFR P00533 1/20 0.50
▸ HLA-A P04439 1/20 0.50
▸ RET P07949 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ RPS6KB1 P23443 1/20 0.50
▸ FRK P42685 1/20 0.50
▸ CDK8 P49336 1/20 0.50
▸ DDR1 Q08345 1/20 0.50
▸ STK3 Q13188 1/20 0.50
▸ PTK6 Q13882 1/20 0.50
▸ MAP3K19 Q56UN5 1/20 0.50
▸ CDK19 Q9BWU1 1/20 0.50
▸ MAP3K20 Q9NYL2 1/20 0.50

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
SCHEMBL27625198 0.89 KDR (0.57) FLT1KDRPDGFRBKITCSF1R
SCHEMBL28752805 0.83 FLT1 (0.64) FLT1KDRPDGFRBKITCSF1R
SCHEMBL27625380 0.82 KDR (0.65) FLT1KDRPDGFRBKITCSF1R
SCHEMBL905608 0.79 KDR (0.80) FLT1KDRPDGFRBKITCSF1R
SCHEMBL28073018 0.76 MAPT (0.64) FLT1KDRPDGFRBKITCSF1R
SCHEMBL27495149 0.76 KDR (0.56) FLT1KDRPDGFRBKITCSF1R
SCHEMBL6607263 0.73 KDR (0.73) FLT1KDRPDGFRBKITCSF1R
Picodralazine SCHEMBL2108694 0.73 FLT1 (0.69) FLT1KDRPDGFRBKITCSF1R
SCHEMBL27511538 0.73 FLT1 (0.60) FLT1KDRPDGFRBKITCSF1R
SCHEMBL24996489 0.71 FLT1 (0.66) FLT1KDRPDGFRBKITCSF1R

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-105492011-A Therapeutic synergy of undesirable chemical compounds BROWN DENNIS M 2016-04-13 — — CN disclosed
CN-104797267-A Method of treating tyrosine kinase inhibitor-resistant malignancies in patients with genetic polymorphism or AHI1 dysregulation or mutation using dianhydrogalactitol, diacetyldianhydrogalactitol, dibromodulcitol, or analogs or derivatives thereof DEL MAR PHARMACEUTICALS 2015-07-22 — — CN disclosed
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