SCHEMBL1904402

SCHEMBL1904402

CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccc(N4CCN(C(C)(C)C)CC4)c(F)c3)nc21

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 3/20 0.60
PKN1 Q16512 3/20 0.60
PAK4 O96013 2/20 0.60
PAK3 O75914 2/20 0.60
PAK2 Q13177 2/20 0.60
LIMK1 P53667 1/20 0.60
LIMK2 P53671 1/20 0.60
TNK2 Q07912 9/20 0.54
RIPK2 O43353 2/20 0.54
ACVR1 Q04771 2/20 0.54
NOD2 Q9HC29 2/20 0.54
EGFR P00533 1/20 0.50
FGFR1 P11362 1/20 0.50
WEE1 P30291 1/20 0.49
SRC P12931 1/20 0.46

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
SCHEMBL10192788 0.90 PAK4 (0.65) PAK1PKN1PAK4PAK3PAK2
SCHEMBL10192787 0.89 PAK3 (0.75) PAK1PKN1PAK4PAK3PAK2
Hydrochloric Acid SCHEMBL660053 0.88 PAK3 (0.74) PAK1PKN1PAK4PAK3PAK2
SCHEMBL660399 0.88 PAK3 (0.56) PAK1PKN1PAK4PAK3PAK2
SCHEMBL15035152 0.82 PAK1 (0.70) PAK1PKN1PAK4PAK3PAK2
SCHEMBL15035162 0.82 PAK1 (0.70) PAK1PKN1PAK4PAK3PAK2
SCHEMBL15035165 0.80 PAK1 (0.67) PAK1PKN1PAK4PAK3PAK2
SCHEMBL15035147 0.80 PAK1 (0.82) PAK1PKN1PAK4PAK3PAK2
SCHEMBL5762208 0.79 FGFR1 (0.75) RIPK2ACVR1NOD2EGFRFGFR1
SCHEMBL10192790 0.78 WEE1 (0.77) PAK1PKN1PAK4PAK3PAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519241-A2 METHODS FOR TREATING AUTISM Afraxis, Inc. (US) 2012-11-07 EP disclosed
EP-2504011-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT Afraxis, Inc. (US) 2012-10-03 EP disclosed
WO-2011090666-A2 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2011-07-28 WO disclosed
WO-2011063415-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2011-05-26 WO disclosed
WO-2010071846-A2 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS, INC. (US) 2010-06-24 WO disclosed