SCHEMBL58724

SCHEMBL58724

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.39
DGAT1 O75907 1/20 0.38
F2 P00734 2/20 0.37
F11 P03951 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
HIF1A Q16665 3/20 0.36
AAK1 Q2M2I8 2/20 0.36
LIPG Q9Y5X9 3/20 0.35
LPL P06858 2/20 0.35
P4HB P07237 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NR1I2 O75469 1/20 0.33

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
SCHEMBL58297 0.85 AAK1 (0.44) DGAT1F2F11PRSS1PRSS2
SCHEMBL59027 0.84 F11 (0.39) DGAT1F2F11PRSS1PRSS2
SCHEMBL59978 0.82 ROCK1 (0.42) DGAT1F2F11PRSS1PRSS2
SCHEMBL9938876 0.77 UCHL1 (0.33) CSF1R
SCHEMBL28892512 0.76 EGFR (0.35) BACE1BACE2
SCHEMBL2136697 0.76 LIPG (0.46) DGAT1F2F11PRSS1PRSS2
SCHEMBL26101972 0.76 UCHL1 (0.33) DGAT1F2F11PRSS1PRSS2
SCHEMBL58552 0.76 LIPE (0.33) CSF1RDGAT1F2F11PRSS1
SCHEMBL1723521 0.75 ALDH1A1 (0.50) CSF1RDGAT1F2F11PRSS1
SCHEMBL2548460 0.74 LMNA (0.43) CA1CA2CA9

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
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP disclosed
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed