SCHEMBL28206752

SCHEMBL28206752

Fc1cccc(-c2cc(Cl)n[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
MAPT P10636 3/20 0.47
ALOX15 P16050 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
NOTUM Q6P988 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 1/20 0.43
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL7132547 0.79 RAB9A (0.61) MAPTALOX15SMN1; SMN2LMNAMAPK1
SCHEMBL1853364 0.79 LMNA (0.56) IDO1MAPTALOX15SMN1; SMN2NFKB1
SCHEMBL7125769 0.79 IDO1 (0.49) IDO1MAPTALOX15SMN1; SMN2NFKB1
SCHEMBL2870717 0.76 IDO1 (0.46) IDO1MAPTALOX15SMN1; SMN2NFKB1
SCHEMBL15425113 0.76 MAPT (0.62) IDO1MAPTALOX15SMN1; SMN2NFKB1
SCHEMBL22815484 0.75 IDO1 (0.45) IDO1MAPTALOX15SMN1; SMN2NFKB1
SCHEMBL22327927 0.75 MAPT (0.47) IDO1MAPTALOX15SMN1; SMN2NFKB1
SCHEMBL8888496 0.74 RAB9A (0.70) IDO1MAPTALOX15SMN1; SMN2NFKB1
SCHEMBL70801 0.73 HCAR2 (0.56) IDO1MAPTALOX15SMN1; SMN2NFKB1
SCHEMBL15425109 0.73 KDM4E (0.55) MAPTALOX15SMN1; SMN2NFKB1NFKB2

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
CN-108017641-B Pyrazolopyrimidine compound as PI3K inhibitor and application thereof 深圳铂立健医药有限公司 2021-01-05 CN disclosed
CN-108017641-A Pyrazolopyrimidine compound is as PI3K inhibitor and its application 叶宝欢 2018-05-11 CN disclosed