SCHEMBL7494292

SCHEMBL7494292

CCOC(=O)C1CCC(Nc2c(F)c(Oc3cccc(C4=NCCN4C)c3)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.43
F10 P00742 7/20 0.43
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
EGFR P00533 2/20 0.37
CCR8 P51685 1/20 0.36
MAPT P10636 1/20 0.36
CCNK O75909 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
PTGER1 P34995 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33

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
SCHEMBL7483083 0.94 F2 (0.44) F2F10MAPK8MAPK9EGFR
SCHEMBL7485658 0.92 F2 (0.42) F2F10MAPK8MAPK9EGFR
SCHEMBL7492995 0.91 F10 (0.42) F2F10CCNKCCNA2CDK2
SCHEMBL7415526 0.91 F2 (0.52) F2F10EGFRCCR8MAPT
SCHEMBL7490737 0.90 F10 (0.43) F2F10PTGER1PLGPLAU
SCHEMBL7495334 0.90 F10 (0.43) F2F10PTGER1PLGPLAU
SCHEMBL7496461 0.89 F2 (0.47) F2F10EGFRCCR8MAPT
SCHEMBL7488722 0.89 F10 (0.44) F2F10EGFRPTGER1PLG
SCHEMBL7422372 0.88 F2 (0.46) F2F10EGFRCCR8PTGER1
SCHEMBL7491010 0.88 F2 (0.42) F2F10EGFRCCR8MAPT

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