SCHEMBL7406554

SCHEMBL7406554

N=C(N)c1ccc2[nH]c(-c3ccn[nH]3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.55
CDK1 P06493 1/20 0.55
CDK2 P24941 1/20 0.55
AURKB Q96GD4 1/20 0.55
F2 P00734 9/20 0.52
F10 P00742 9/20 0.52
F7 P08709 3/20 0.52
PLAU P00749 9/20 0.49
PLG P00747 8/20 0.49
PRSS1 P07477 7/20 0.49
PLAT P00750 5/20 0.49
HPN P05981 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
PDPK1 O15530 1/20 0.47

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
SCHEMBL548406 0.84 F2 (0.58) F2F10F7PLAUPLG
Hydrochloric Acid SCHEMBL29202497 0.82 F2 (0.68) F2F10F7PLAUPLG
SCHEMBL7409967 0.79 F10 (0.60) F2F10F7PLAUPLG
SCHEMBL7879342 0.79 PLAU (0.65) F2F10F7PLAUPLG
Hydrochloric Acid SCHEMBL11298806 0.79 PLAU (0.65) F2F10F7PLAUPLG
SCHEMBL6753170 0.78 F2 (0.56) F2F10F7PLAUPLG
SCHEMBL23793907 0.77 F2 (0.83) AURKBF2F10F7PLAU
SCHEMBL5303225 0.76 F10 (0.50) F2F10F7PLAUPLG
SCHEMBL8162910 0.76 F2 (0.56) F2F10F7PLAUPLG
SCHEMBL2077857 0.76 F2 (0.60) F2F10F7PLAUPLG

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
US-6150379-A BLOOD COAGULATION FACTOR XA INHIBITORS; TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE ACTIVITY; THROMBOLYTIC AND ISCHEMIC AGENTS; E.G., 2-(6-(5-AMIDINO-1H-BENZIMIDAZOL-2-YL)-PYRID-3-YLCARBONYLAMINO)-3 -HYDROXYBUTYRIC ACID AXYS PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
WO-1999026941-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed