SCHEMBL27525459

SCHEMBL27525459

Cc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 18/20 0.67
▸ FLT1 P17948 16/20 0.67
▸ PDGFRB P09619 12/20 0.67
▸ KIT P10721 11/20 0.67
▸ SHMT2 P34897 1/20 0.61
▸ CSF1R P07333 2/20 0.55
▸ FLT4 P35916 2/20 0.55
▸ CIT O14578 1/20 0.55
▸ EGFR P00533 1/20 0.55
▸ HLA-A P04439 1/20 0.55
▸ RET P07949 1/20 0.55
▸ PDGFRA P16234 1/20 0.55
▸ RPS6KB1 P23443 1/20 0.55
▸ FRK P42685 1/20 0.55
▸ CDK8 P49336 1/20 0.55
▸ DDR1 Q08345 1/20 0.55
▸ STK3 Q13188 1/20 0.55
▸ PTK6 Q13882 1/20 0.55
▸ MAP3K19 Q56UN5 1/20 0.55
▸ CDK19 Q9BWU1 1/20 0.55

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
SCHEMBL6610505 0.81 KDR (1.00) KDRFLT1PDGFRBKITSHMT2
SCHEMBL95010 0.81 KDR (0.81) KDRFLT1PDGFRBKITCSF1R
SCHEMBL905704 0.80 KDR (1.00) KDRFLT1PDGFRBKITSHMT2
SCHEMBL29365850 0.80 KDR (0.71) KDRFLT1PDGFRBKITSHMT2
SCHEMBL1652070 0.80 KDR (0.71) KDRFLT1PDGFRBKITSHMT2
SCHEMBL4821828 0.76 FLT1 (0.81) KDRFLT1PDGFRBKITSHMT2
SCHEMBL905608 0.76 KDR (0.80) KDRFLT1PDGFRBKITCSF1R
SCHEMBL12201973 0.76 KDR (0.65) KDRFLT1PDGFRBKITSHMT2
SCHEMBL17792704 0.76 SHMT2 (1.00) KDRFLT1PDGFRBKITSHMT2
SCHEMBL905597 0.75 SHMT2 (0.78) KDRFLT1PDGFRBKITSHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1660840-A Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2005-08-31 — — CN claimed
CN-1367695-A Phthalazine derivatives for the treatment of inflammatory diseases NOVARTIS AG (CH) 2002-09-04 — — CN claimed
CN-1221262-C Phthalazine derivatives for the treatment of inflammatory diseases NOVARTIS AG (CH) 2005-10-05 — — CN disclosed
CN-1660840-A Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2005-08-31 — — CN disclosed
CN-1367695-A Phthalazine derivatives for the treatment of inflammatory diseases NOVARTIS AG (CH) 2002-09-04 — — CN disclosed
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