SCHEMBL8031084

SCHEMBL8031084

N=C(N)c1ccc2ncn(CC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.81
F2 P00734 7/20 0.81
PRSS1 P07477 6/20 0.81
GRIN2B Q13224 2/20 0.58
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA13 Q8N1Q1 2/20 0.46
ALPG P10696 3/20 0.45
ALPL P05186 2/20 0.45
PLAA Q9Y263 2/20 0.45
ALPI P09923 1/20 0.45
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 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
SCHEMBL7361499 0.90 F10 (1.00) F10F2PRSS1GRIN2BCA12
SCHEMBL7361478 0.88 F10 (0.80) F10F2PRSS1GRIN2BCA12
SCHEMBL7366850 0.85 F10 (0.82) F10F2PRSS1GRIN2BCA12
SCHEMBL8029316 0.81 F10 (1.00) F10F2PRSS1CA12CA1
SCHEMBL8029289 0.79 F10 (1.00) F10F2PRSS1CA12CA1
SCHEMBL7364424 0.77 F10 (0.68) F10F2PRSS1CA12CA1
SCHEMBL6201409 0.76 CA12 (0.68) F10F2PRSS1GRIN2BCA12
SCHEMBL8029526 0.76 F10 (0.82) F10F2PRSS1CA12CA1
SCHEMBL8032811 0.75 F10 (0.77) F10F2PRSS1CA12CA1
SCHEMBL18363367 0.74 GRIN2B (1.00) GRIN2B

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
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed