SCHEMBL7366448

SCHEMBL7366448

N#Cc1ccc2ncn(CC(=O)c3ccc(Br)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
F10 P00742 3/20 0.49
F2 P00734 2/20 0.49
PRSS1 P07477 2/20 0.49
ALPG P10696 3/20 0.46
ALPL P05186 2/20 0.46
PLAA Q9Y263 2/20 0.46
ALPI P09923 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
USP2 O75604 1/20 0.44
CDYL2 Q8N8U2 1/20 0.43
CDYL Q9Y232 1/20 0.43
CDY1; CDY1B Q9Y6F8 1/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43

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
SCHEMBL8019373 0.91 RAB9A (0.51) RAB9AF10F2PRSS1ALPG
SCHEMBL22533921 0.79 BRD4 (0.55) NPSR1IDO1KCNH2
SCHEMBL6202723 0.78 RAB9A (0.70) RAB9AF10F2PRSS1ALPG
SCHEMBL11331901 0.72 BRD4 (0.49) IDO1KCNH2
SCHEMBL19915909 0.72 BRD4 (0.44) IDO1
SCHEMBL20672328 0.72 F10 (0.68) F10F2PRSS1ALPGALPL
SCHEMBL19915906 0.70 BRD4 (0.42)
SCHEMBL19848088 0.70 BRD4 (0.45) RAB9AUSP2IDO1KCNH2
SCHEMBL8255592 0.69 LMNA (0.42) USP2
SCHEMBL19848660 0.69 JAK2 (0.47) USP2

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 3 patents. 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
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO disclosed