SCHEMBL7410845

SCHEMBL7410845

N=C(N)c1ccc2[nH]c(Nc3nc4cc(F)ccc4[nH]3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.51
F2 P00734 6/20 0.48
PRSS1 P07477 3/20 0.48
PLG P00747 2/20 0.48
PLAU P00749 2/20 0.48
PLAT P00750 1/20 0.48
HPN P05981 1/20 0.44
ASIC3 Q9UHC3 1/20 0.43
F7 P08709 3/20 0.43
TPSAB1 Q15661 3/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41

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
SCHEMBL7399259 0.85 F2 (0.60) F10F2PRSS1PLGPLAU
SCHEMBL7406430 0.81 F10 (0.76) F10F2PRSS1PLGPLAU
SCHEMBL6988665 0.80 MTOR (0.47) F10F2PRSS1PLGPLAU
SCHEMBL10318990 0.74 CYP3A4 (0.63) KDM4ENPC1TP53PKMRAB9A
Hydrochloric Acid SCHEMBL29202497 0.73 F2 (0.68) F10F2PRSS1PLGPLAU
SCHEMBL6680675 0.73 F2 (0.51) F10F2PRSS1PLGPLAU
SCHEMBL548406 0.73 F2 (0.58) F10F2PRSS1PLGPLAU
SCHEMBL5237850 0.72 F10 (0.51) F10F2PRSS1PLGPLAU
SCHEMBL16053859 0.71 MTOR (0.43) KDM4ENPC1TP53PKMRAB9A
Water SCHEMBL4316286 0.71 F10 (0.44) F10F2PRSS1PLGPLAU

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