SCHEMBL6565351

SCHEMBL6565351

N=C(N)c1ccc(NCC#Cc2ccc(C(=O)N3CCCC3)c(O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.44
PRSS1 P07477 5/20 0.44
HSD11B1 P28845 1/20 0.43
F2 P00734 5/20 0.41
PLAU P00749 4/20 0.41
PLAT P00750 4/20 0.41
PLG P00747 2/20 0.41
ACACB O00763 1/20 0.40
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL6561958 0.91 ACACB (0.49) F10PRSS1F2PLAUPLAT
SCHEMBL6563220 0.88 HPGD (0.44) F10PRSS1HSD11B1ACACB
SCHEMBL6563597 0.87 F10 (0.38) F10PRSS1F2ACACBPRSS2
SCHEMBL6565323 0.87 F7 (0.38) F10PRSS1F2PLGACACB
SCHEMBL6563675 0.86 F10 (0.47) F10PRSS1ACACB
SCHEMBL6563450 0.85 F10 (0.48) F10PRSS1F2ACACB
SCHEMBL6565233 0.85 ACACB (0.39) F10PRSS1F2ACACBPRSS2
SCHEMBL6564205 0.84 F10 (0.36) F10PRSS1F2PLGACACB
SCHEMBL6564209 0.84 F10 (0.36) F10PRSS1F2PLGACACB
SCHEMBL6565941 0.84 F10 (0.47) F10PRSS1ACACB

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 4 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
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed