SCHEMBL3580810

SCHEMBL3580810

CCOC(=O)c1cccc2nc(-c3ccc(OCCN(CC)CC)cc3)[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.59
MAP4K4 O95819 1/20 0.59
LCK P06239 1/20 0.59
CSF1R P07333 1/20 0.59
PIM1 P11309 1/20 0.59
PHKG2 P15735 1/20 0.59
MARK3 P27448 1/20 0.59
KDR P35968 1/20 0.59
FLT3 P36888 1/20 0.59
CLK2 P49760 1/20 0.59
GSK3A P49840 1/20 0.59
ITK Q08881 1/20 0.59
MAP4K2 Q12851 1/20 0.59
DYRK1A Q13627 1/20 0.59
MARK2 Q7KZI7 1/20 0.59
PIM3 Q86V86 1/20 0.59
MINK1 Q8N4C8 1/20 0.59
AURKB Q96GD4 1/20 0.59
PRKD2 Q9BZL6 1/20 0.59
SLK Q9H2G2 1/20 0.59

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
SCHEMBL3589372 0.90 ADORA2A (0.55) CHEK1MAP4K4LCKCSF1RPIM1
SCHEMBL3575241 0.88 MAP4K4 (0.72) CHEK1MAP4K4LCKCSF1RPIM1
SCHEMBL3580322 0.86 CHEK1 (0.61) CHEK1MAP4K4LCKCSF1RPIM1
SCHEMBL3580805 0.84 MAP4K4 (0.79) CHEK1MAP4K4LCKCSF1RPIM1
SCHEMBL3575819 0.83 CHEK1 (0.65) CHEK1MAP4K4LCKCSF1RPIM1
SCHEMBL6948237 0.81 TSHR (0.50) LMNAPARP1GAANPC1RAB9A
SCHEMBL6810427 0.79 PKN1 (0.58) MAP4K4PIM1PHKG2CLK2GSK3A
SCHEMBL3577456 0.78 MAP4K4 (0.59) CHEK1MAP4K4LCKCSF1RPIM1
SCHEMBL3585981 0.77 ADORA2A (0.55) CHEK1MAP4K4LCKCSF1RPIM1
SCHEMBL3580405 0.76 MMP2 (0.50) GUSBPARP1POLBGAANPC1

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