SCHEMBL11601656

SCHEMBL11601656

CCCOc1nnc2cc(Cl)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.47
DHODH Q02127 1/20 0.41
KMT2A Q03164 3/20 0.38
HRH4 Q9H3N8 2/20 0.38
PDE2A O00408 8/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
DYRK1A Q13627 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC2A1 P11166 1/20 0.36
MAT2A P31153 1/20 0.35

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
SCHEMBL11601596 0.92 PIK3CG (0.46) PIK3CGDHODHKMT2APDE2AMEN1
SCHEMBL11603861 0.90 PDE2A (0.45) PIK3CGKMT2APDE2AMEN1
SCHEMBL11599594 0.87 PIK3CG (0.50) PIK3CGKMT2AHRH4MEN1MAPT
SCHEMBL11602806 0.86 PIK3CG (0.41) PIK3CGKMT2APDE2AMEN1KDM4E
SCHEMBL11602557 0.86 PIK3CG (0.49) PIK3CGKMT2AHRH4PDE2AF7
SCHEMBL11603303 0.80 PIK3CG (0.46) PIK3CGKMT2AHRH4PDE2AMEN1
SCHEMBL11602126 0.78 PIK3CG (0.55) PIK3CGKMT2AHRH4PDE2AF7
SCHEMBL11601650 0.78 PIK3CG (0.47) PIK3CGKMT2AHRH4F7F3
SCHEMBL11602708 0.77 PIK3CG (0.46) PIK3CGKMT2AF7F3DYRK1A
SCHEMBL11602879 0.76 PIK3CG (0.45) PIK3CGKMT2AHRH4MEN1MAPT

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
US-4067981-A FUNGICIDES, BACTERICIDES, INSECTICIDES, ACARICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US claimed
US-4067981-A FUNGICIDES, BACTERICIDES, INSECTICIDES, ACARICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed