SCHEMBL3586249

SCHEMBL3586249

NC(=O)c1cccc2[nH]c(-c3cccc(-n4ccc(CNC(=O)C(F)(F)F)c4)c3)nc12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.54
AURKB Q96GD4 1/20 0.54
PARP1 P09874 19/20 0.54
DHODH Q02127 1/20 0.47

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
SCHEMBL3577370 0.91 KDR (0.65) KDRAURKBPARP1DHODH
SCHEMBL6582952 0.88 KDR (0.41) KDRAURKBPARP1
SCHEMBL3586255 0.86 KDR (0.41) KDRAURKBPARP1
SCHEMBL3580135 0.85 AURKB (0.61) KDRAURKBPARP1DHODH
SCHEMBL3577208 0.84 PARP1 (0.55) AURKBPARP1DHODH
SCHEMBL6580677 0.79 KDR (0.49) KDRAURKBPARP1DHODH
SCHEMBL13225614 0.79 PARP1 (0.62) KDRAURKBPARP1DHODH
SCHEMBL3582780 0.78 AURKB (0.49) KDRAURKBPARP1DHODH
SCHEMBL3576435 0.77 PARP1 (0.58) KDRAURKBPARP1DHODH
SCHEMBL3582141 0.75 AURKB (0.75) KDRAURKBPARP1DHODH

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
US-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed
US-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed