SCHEMBL21028583

SCHEMBL21028583

C=C(C)Nc1nc2ccc(C)cc2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.73
NPC1 O15118 13/20 0.59
RAB9A P51151 13/20 0.59
SMN1; SMN2 Q16637 8/20 0.59
TP53 P04637 3/20 0.59
ACP1 P24666 1/20 0.59
PTPN1 P18031 1/20 0.58
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
OPRK1 P41145 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL18612696 0.86 DYRK1A (0.67) DYRK1ANPC1RAB9ASMN1; SMN2TP53
SCHEMBL14189678 0.84 DYRK1A (0.73) DYRK1ANPC1RAB9ASMN1; SMN2TP53
SCHEMBL2175580 0.84 DYRK1A (1.00) DYRK1ANPC1RAB9ASMN1; SMN2TP53
SCHEMBL12683251 0.83 DYRK1A (0.74) DYRK1ANPC1RAB9ATP53ALDH1A1
SCHEMBL13486495 0.80 DYRK1A (0.76) DYRK1ANPC1RAB9ASMN1; SMN2TP53
SCHEMBL22467930 0.80 DYRK1A (0.67) DYRK1ANPC1RAB9ASMN1; SMN2TP53
SCHEMBL15993384 0.80 DYRK1A (0.67) DYRK1ANPC1RAB9ASMN1; SMN2TP53
SCHEMBL21568049 0.80 DYRK1A (0.76) DYRK1ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL10936133 0.80 DYRK1A (0.74) DYRK1ANPC1RAB9ASMN1; SMN2TP53
SCHEMBL14113317 0.79 DYRK1A (0.74) DYRK1ANPC1RAB9ASMN1; SMN2TP53

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
EP-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 EP disclosed