SCHEMBL7410068

SCHEMBL7410068

N=C(N)c1ccc2[nH]c(C(Cc3ccc(N)cc3)c3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.49
F10 P00742 5/20 0.49
F7 P08709 2/20 0.49
F9 P00740 2/20 0.43
PRSS1 P07477 3/20 0.43
PLAU P00749 2/20 0.43
KLK1 P06870 1/20 0.42
KLK5 Q9Y337 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 2/20 0.40
TPSAB1 Q15661 2/20 0.40
MAPT P10636 2/20 0.40
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7406501 0.93 F2 (0.53) F2F10F7F9PRSS1
SCHEMBL7403653 0.91 F2 (0.49) F2F10F7F9PRSS1
SCHEMBL7404382 0.90 F2 (0.48) F2F10F7F9PRSS1
SCHEMBL7406090 0.83 F10 (0.47) F2F10F7F9PRSS1
SCHEMBL7595573 0.83 F2 (0.58) F2F10F7PRSS1PLAU
SCHEMBL7405163 0.82 F2 (0.53) F2F10F7PRSS1PLAU
SCHEMBL7405081 0.82 F10 (0.44) F2F10F7F9PRSS1
SCHEMBL7405066 0.82 F2 (0.48) F2F10F7F9PRSS1
SCHEMBL7406508 0.81 F2 (0.54) F2F10F7PRSS1PLAU
SCHEMBL7450165 0.81 HRH4 (0.50) F2F10F7F9MAPT

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