SCHEMBL9700727

SCHEMBL9700727

Clc1ccc2nc(CBr)c(CBr)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
DYRK1A Q13627 1/20 0.42
ERBB2 P04626 1/20 0.39
NR4A2 P43354 1/20 0.38
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 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
SCHEMBL30932231 1.00 PIK3CG (0.46) PIK3CGALDH1A1MAPTKDM4EMEN1
SCHEMBL9740990 0.81 MAPT (0.35) PIK3CGALDH1A1MAPTKDM4EMEN1
SCHEMBL9700960 0.81 MAPT (0.35) PIK3CGALDH1A1MAPTKDM4EMEN1
SCHEMBL5157381 0.79 PIK3CG (0.58) PIK3CGALDH1A1MAPTKDM4EMEN1
SCHEMBL9700694 0.78 MMP1 (0.45) DYRK1AERBB2
SCHEMBL30932262 0.77 PABPC1 (0.47) ALDH1A1KDM4EMEN1KMT2APIK3R1
SCHEMBL24465461 0.75 ERBB2 (0.39) KDM4EMEN1KMT2AERBB2
SCHEMBL19075884 0.75 NQO2 (0.57) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL19084327 0.75 ERBB2 (0.39) KDM4EMEN1KMT2AERBB2
SCHEMBL30932232 0.75 NQO2 (0.57) ALDH1A1MAPTKDM4EMEN1KMT2A

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
WO-1992014740-A1 QUINOXALINE PHOSPHONO-AMINO ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-03 WO disclosed
US-5118675-A Therapy for central nervous system disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-02 US disclosed