SCHEMBL2052089

SCHEMBL2052089

Cc1cc(CCNc2ncnc3[nH]cnc23)c(-c2cccc(F)c2)c2nnccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.48
BCL2 P10415 1/20 0.41
MAP4K4 O95819 5/20 0.38
PIK3CG P48736 1/20 0.36
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
FLT1 P17948 1/20 0.34
LTK P29376 1/20 0.34
GRK5 P34947 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL2017997 0.92 PIK3CD (0.39) PIK3CDBCL2LMNAMAPK1HTT
SCHEMBL2016719 0.91 PIK3CD (0.47) PIK3CDBCL2MAP4K4PIK3CGAURKA
SCHEMBL2016865 0.90 PIK3CD (0.56) PIK3CDBCL2MAP4K4PIK3CGAURKA
SCHEMBL2014148 0.90 PIK3CD (0.47) PIK3CDMAP4K4PIK3CGAURKADAPK3
SCHEMBL2051059 0.85 PIK3CD (0.53) PIK3CDBCL2MAP4K4PIK3CGAURKA
SCHEMBL2012486 0.82 PIK3CD (0.46) PIK3CDBCL2LMNAMAPK1HTT
SCHEMBL2012713 0.81 PIK3CD (0.55) PIK3CDBCL2MAP4K4PIK3CGAURKA
SCHEMBL2014851 0.81 PIK3CD (0.46) PIK3CDMAP4K4PIK3CGAURKADAPK3
SCHEMBL2054227 0.81 PIK3CD (0.41) PIK3CDBCL2PIK3CGPRKACASYK
SCHEMBL2014116 0.80 PIK3CD (0.65) PIK3CDBCL2MAP4K4PIK3CGMERTK

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed