SCHEMBL7368512

SCHEMBL7368512

CC(C)(C)OC(=O)c1cc2ccc(NC(=O)c3ccc(N)cc3N(C=O)C3CCN(c4ccncc4)CC3)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.36
F10 P00742 4/20 0.34
SCN3A Q9NY46 2/20 0.33
SCN4A P35499 1/20 0.33
MLLT1 Q03111 2/20 0.33
CYP2C9 P11712 1/20 0.33
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
NAMPT P43490 3/20 0.32
ROCK1 Q13464 2/20 0.32
KIF18A Q8NI77 1/20 0.31

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
SCHEMBL7374728 0.90 KIF18A (0.34) ROCK2F10MLLT1CYP2C9KIF18A
SCHEMBL7373208 0.89 MAPT (0.38) ROCK2F10MAPT
SCHEMBL6171243 0.83 GPR119 (0.36) F10MAPTSMN1; SMN2
SCHEMBL7369945 0.82 F10 (0.44) F10
SCHEMBL7372042 0.82 F10 (0.38) ROCK2F10SCN3ASCN4AMLLT1
SCHEMBL7372221 0.78 F10 (0.39) F10
SCHEMBL6168826 0.78 RXFP2 (0.46) F10
SCHEMBL7369526 0.76 F10 (0.41) F10JAK2KIF18A
SCHEMBL7374706 0.75 F10 (0.46) F10MAPTROCK1
SCHEMBL7372754 0.74 F10 (0.42) F10JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed