SCHEMBL7408229

SCHEMBL7408229

N=C(N)c1ccc2[nH]c(C(=O)c3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.59
F10 P00742 5/20 0.59
F7 P08709 3/20 0.59
CCND3 P30281 1/20 0.50
CDK6 Q00534 1/20 0.50
PLAU P00749 3/20 0.48
PRSS1 P07477 3/20 0.48
KLK1 P06870 1/20 0.47
KLK5 Q9Y337 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PLG P00747 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
PLAT P00750 1/20 0.45
HPN P05981 1/20 0.45
MAPT P10636 1/20 0.45
TPSAB1 Q15661 1/20 0.45
XDH P47989 1/20 0.44
AURKA O14965 1/20 0.44

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
SCHEMBL4314492 0.93 F10 (0.48) F2F10F7PLAUPRSS1
SCHEMBL29730336 0.92 F2 (0.71) F2F10F7PLAUPRSS1
SCHEMBL4316759 0.92 TPSAB1 (0.48) F2F10F7PLAUPRSS1
SCHEMBL548376 0.85 F2 (0.45) F2F10F7PLAUPRSS1
SCHEMBL21067335 0.84 F10 (0.61) F2F10F7PLAUPRSS1
SCHEMBL8329299 0.84 F2 (0.48) F2F10F7PLAUPRSS1
SCHEMBL23793907 0.83 F2 (0.83) F2F10F7PLAUPRSS1
SCHEMBL250171 0.81 CCND3 (0.70) CCND3CDK6NPC1RAB9AMAPT
SCHEMBL6163820 0.80 F10 (0.85) F2F10F7PLAUPRSS1
SCHEMBL7479169 0.80 F10 (0.71) F2F10F7PLAUPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed