SCHEMBL7366923

SCHEMBL7366923

Cc1noc2ccc(Oc3ncccc3C(=O)NCC3CCC(C(C)(C)O)CC3)cc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
LCK P06239 1/20 0.43
MET P08581 1/20 0.43
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43
AURKB Q96GD4 1/20 0.43
GAA P10253 1/20 0.42
ACACB O00763 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
AR P10275 1/20 0.39
MAPK8 P45983 1/20 0.38

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
SCHEMBL7372299 0.83 AR (0.43) AURKALCKMETKDRTEK
SCHEMBL4825943 0.83 AURKA (0.43) AURKALCKMETKDRTEK
SCHEMBL4825960 0.83 AURKA (0.43) AURKALCKMETKDRTEK
SCHEMBL7366994 0.82 CARM1 (0.46) GAA
SCHEMBL7366991 0.82 CARM1 (0.46) GAA
SCHEMBL7371639 0.81 PDE4A (0.55) AURKALCKMETKDRTEK
SCHEMBL7403749 0.81 POLB (0.51) AURKALCKMETKDRTEK
SCHEMBL7406794 0.81 MAPK8 (0.51) AURKALCKMETKDRTEK
SCHEMBL7369357 0.81 KMT2A (0.50) GAAMAPK8
SCHEMBL7371277 0.80 ALDH1A1 (0.48) AURKALCKMETKDRTEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed