SCHEMBL999019

SCHEMBL999019

CC(=O)N1CC2(CC2)c2c([nH]c3ncncc23)C1c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.38
RPS6KB1 P23443 4/20 0.37
KIT P10721 4/20 0.36
AKT1 P31749 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
JAK3 P52333 1/20 0.33
CYP2D6 P10635 2/20 0.33
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 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
SCHEMBL998170 0.91 ALDH1A1 (0.38) KIF11RPS6KB1KITAKT1CYP2D6
SCHEMBL997592 0.87 RXFP1 (0.39) KIF11RPS6KB1RXFP1CYP2D6OPRK1
SCHEMBL997834 0.85 KIF11 (0.38) KIF11RPS6KB1AKT1RXFP1ALDH1A1
SCHEMBL998327 0.84 KIF11 (0.42) KIF11RXFP1CYP2D6ALDH1A1
SCHEMBL998180 0.82 KIF11 (0.52) KIF11
SCHEMBL999201 0.82 KIF11 (0.40) KIF11RXFP1CYP2D6
SCHEMBL999416 0.81 KIF11 (0.52) KIF11
SCHEMBL2033145 0.81 KIF11 (0.43) KIF11RXFP1CYP2D6OPRK1ALDH1A1
SCHEMBL2035529 0.81 KIF11 (0.47) KIF11
SCHEMBL999207 0.79 KIF11 (0.38) KIF11RPS6KB1KITAKT1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed