SCHEMBL935387

SCHEMBL935387

O=c1c2c(Cl)cccc2cc(CCNc2ncnc3[nH]cnc23)n1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.43
PIK3CG P48736 8/20 0.43
PIK3R2 O00459 3/20 0.38
ABCB11 O95342 1/20 0.38
TBXA2R P21731 1/20 0.38
PIK3R1 P27986 1/20 0.38
HTR2A P28223 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PDE3A Q14432 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
SCHEMBL935655 0.90 PIK3CD (0.43) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL935671 0.83 PIK3CD (0.51) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL4413968 0.79 PIK3CD (0.64) PIK3CDPIK3CGPIK3R2ABCB11TBXA2R
SCHEMBL12688802 0.79 PIK3CD (0.64) PIK3CDPIK3CGPIK3R2ABCB11TBXA2R
SCHEMBL179580 0.79 PIK3CD (0.64) PIK3CDPIK3CGPIK3R2ABCB11TBXA2R
SCHEMBL17338341 0.78 PIK3CD (0.56) PIK3CDPIK3CGPIK3R2
SCHEMBL21389745 0.77 PIK3CD (0.41) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL16584856 0.77 PIK3CD (0.71) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA
SCHEMBL16356359 0.76 PIK3CD (0.60) PIK3CDPIK3CGPIK3R2ABCB11TBXA2R
SCHEMBL17338292 0.74 PIK3CD (0.59) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CA

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
EP-2456444-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Intellikine, Inc. (US) 2012-05-30 EP disclosed
WO-2011008302-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2011-01-20 WO disclosed