SCHEMBL6562282

SCHEMBL6562282

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)N1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.44
MTOR P42345 11/20 0.44
ACACB O00763 1/20 0.36
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
F2 P00734 4/20 0.35
F10 P00742 4/20 0.35
PLG P00747 3/20 0.35
PLAU P00749 3/20 0.35
PLAT P00750 3/20 0.35
KLK1 P06870 1/20 0.35
KLK5 Q9Y337 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
F9 P00740 1/20 0.34

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
SCHEMBL6563617 0.87 PIK3CA (0.37) PIK3CAMTORF2F10PLG
SCHEMBL6561958 0.86 ACACB (0.49) ACACBF7F3F2F10
SCHEMBL6561944 0.86 F10 (0.43) PIK3CAMTORACACBF10
SCHEMBL6565215 0.84 PIK3CA (0.38) PIK3CAMTORACACB
SCHEMBL6565512 0.82 GAA (0.40) ACACBF2F10PLAU
SCHEMBL7809950 0.82 PIK3CA (0.40) PIK3CAMTORACACBF2
SCHEMBL6561848 0.80 KDM1A (0.41) PIK3CAMTORACACBF2PLG
SCHEMBL6565424 0.79 ITGB3 (0.42) F2ITGB3ITGA2B
SCHEMBL6564957 0.78 F2 (0.38) F7F3F2F10PLAU
SCHEMBL6565351 0.78 F10 (0.44) ACACBF7F3F2F10

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed