SCHEMBL7485658

SCHEMBL7485658

CCOC(=O)C1CCC(Nc2c(F)c(Oc3cccc(C4=NCCN4C)c3)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)C(C(=O)OCC)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.42
F10 P00742 7/20 0.42
EGFR P00533 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
MAPT P10636 1/20 0.33
CCR8 P51685 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
PTGER1 P34995 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32

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
SCHEMBL7490737 0.93 F10 (0.43) F2F10PTGER1PLGPLAU
SCHEMBL7495334 0.93 F10 (0.43) F2F10PTGER1PLGPLAU
SCHEMBL7494292 0.92 F2 (0.43) F2F10EGFRMAPTCCR8
SCHEMBL7483083 0.91 F2 (0.44) F2F10EGFRMAPTCCR8
SCHEMBL7493245 0.88 F2 (0.43) F2F10EGFRMAPTCCR8
SCHEMBL7488722 0.88 F10 (0.44) F2F10EGFRPTGER1PLG
SCHEMBL7415526 0.87 F2 (0.52) F2F10EGFRMAPTCCR8
SCHEMBL7418994 0.86 F2 (0.53) F2F10EGFRPTGER1PLG
SCHEMBL7496461 0.86 F2 (0.47) F2F10EGFRMAPTCCR8
SCHEMBL7415749 0.86 F2 (0.53) F2F10EGFRCCR8PTGER1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929547-B1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AG (DE) 2002-11-27 EP disclosed
US-6265404-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-07-24 US disclosed
US-6232325-B1 THROMBOSIS THERAPY BERLEX LABORATORIES, INC. 2001-05-15 US disclosed
US-6177473-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-01-23 US disclosed
US-6008234-A TREATING A HUMAN HAVING A DISEASE-STATE CHARACTERIZED BY THROMBOTIC ACTIVITY, INHIBITING HUMAN BLOOD COAGULATION FACTOR XA BERLEX LABORATORIES, INC. (US) 1999-12-28 US disclosed