SCHEMBL14720380

SCHEMBL14720380

Cc1nn2c(=O)cc(-c3ccncc3)[nH]c2c1Cc1cccc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 11/20 0.48
PIK3CD O00329 10/20 0.48
PIK3CA P42336 10/20 0.48
PIK3CG P48736 8/20 0.48
SMN1; SMN2 Q16637 1/20 0.35
CCR2 P41597 1/20 0.35
CCR5 P51681 1/20 0.35
MAPT P10636 1/20 0.34
P2RX7 Q99572 1/20 0.33
BTK Q06187 1/20 0.33
JAK2 O60674 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32

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
Acetic Acid SCHEMBL14720273 0.95 PIK3CD (0.45) PIK3CBPIK3CDPIK3CAPIK3CGSMN1; SMN2
Acetic Acid SCHEMBL14720283 0.81 CDC7 (0.38)
SCHEMBL14720396 0.81 PIK3CD (0.38) PIK3CBPIK3CDPIK3CAPIK3CGSMN1; SMN2
SCHEMBL13516642 0.79 MEN1 (0.43) SMN1; SMN2MAPT
SCHEMBL13516190 0.74 KMT2A (0.42) SMN1; SMN2MAPT
SCHEMBL13516422 0.74 ALDH1A1 (0.41) SMN1; SMN2MAPT
SCHEMBL13562088 0.74 KMT2A (0.41) SMN1; SMN2MAPT
SCHEMBL14720301 0.71 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGSMN1; SMN2
SCHEMBL13516125 0.70 PTGDR2 (0.42) SMN1; SMN2MAPT
SCHEMBL14720221 0.70 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGMAPT

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
WO-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed