SCHEMBL18595669

SCHEMBL18595669

CCS(=O)(=O)Nc1cc(C)cnc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
PIK3C3 Q8NEB9 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PSIP1 O75475 1/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CA P42336 3/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
PIK3CG P48736 1/20 0.36
CYP2C9 P11712 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL18595670 0.83 PSIP1 (0.45) BRD4HPGDKDM4EALDH1A1GAA
SCHEMBL18024067 0.82 CYP17A1 (0.46) PIK3C3HPGDKDM4EALDH1A1GAA
SCHEMBL24576532 0.81 PIK3C3 (0.48) PIK3C3PTGS1PTGS2PIK3CAPIK3CG
SCHEMBL17951261 0.80 HPGD (0.45) BRD4HPGDKDM4EALDH1A1GAA
SCHEMBL17996190 0.80 BRD4 (0.40) BRD4PIK3C3HPGDKDM4EALDH1A1
SCHEMBL18160750 0.71 BRD4 (0.51) BRD4PIK3C3PIK3CA
SCHEMBL7549279 0.70 SMN1; SMN2 (0.52) BRD4HPGDKDM4EALDH1A1GAA
SCHEMBL22447435 0.70 KIT (0.43) ALDH1A1GAALMNAPIK3CAPIK3CG
SCHEMBL19303539 0.70 HPGD (0.45) BRD4HPGDKDM4EALDH1A1GAA
SCHEMBL17052891 0.70 CCR1 (0.38) KDM4E

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-9586949-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2017-03-07 US disclosed