SCHEMBL7407336

SCHEMBL7407336

Cn1c(Cc2nc3cc(C(=N)N)ccc3[nH]2)nc2cc(S(=O)(=O)NCCOCCO)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.47
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
F10 P00742 5/20 0.38
TPSAB1 Q15661 3/20 0.37
PRSS1 P07477 2/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
F7 P08709 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL7406521 0.85 F2 (0.49) F2F10TPSAB1PRSS1PLG
SCHEMBL7405344 0.84 F2 (0.55) F2F10F7PKM
SCHEMBL7410430 0.84 F2 (0.45) F2
SCHEMBL7405869 0.83 F2 (0.49) F2F10TPSAB1PRSS1PLG
SCHEMBL7407304 0.80 F2 (0.44) F2F10TPSAB1PRSS1PLG
SCHEMBL7407342 0.80 CDK1 (0.45) F2CDK1CDK2F10PRSS1
SCHEMBL7409773 0.77 SMN1; SMN2 (0.47) F2
SCHEMBL7403871 0.77 F10 (0.46) F2CDK1CDK2F10TPSAB1
SCHEMBL7406196 0.76 F10 (0.56) F2F10TPSAB1PRSS1PLG
SCHEMBL7407064 0.76 F10 (0.50) F2CDK1CDK2F10TPSAB1

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