SCHEMBL19732324

SCHEMBL19732324

Cc1ccc(C(=O)N(CCCN)Cc2nc(C)c(C)c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.71
KIF23 Q02241 1/20 0.53
MAP1LC3B Q9GZQ8 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL3496879 0.84 KIF11 (0.70) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4376437 0.79 KIF11 (0.78) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4366741 0.79 KIF11 (0.54) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3961772 0.77 KIF11 (0.67) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3966803 0.77 KIF11 (0.68) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3961738 0.77 KIF11 (0.67) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5753789 0.77 KIF11 (0.44) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5751482 0.75 KIF11 (0.57) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4364319 0.75 KIF11 (0.58) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL360705 0.74 KIF11 (0.68) KIF11KIF23MAP1LC3BCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017216791-A9 ANTICANCER DRUG CONJUGATES Ariel Scientific Innovations Ltd. (IL) 2018-02-08 WO disclosed
WO-2017216791-A1 ANTICANCER DRUG CONJUGATES Ariel Scientific Innovations Ltd. (IL) 2017-12-21 WO disclosed