SCHEMBL21769332

SCHEMBL21769332

CNc1ccc2nc(NC)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.48
CSNK1G2 P78368 5/20 0.48
CSNK1A1 P48729 5/20 0.48
GSK3B P49841 4/20 0.48
APP P05067 1/20 0.44
MAPT P10636 1/20 0.44
ADORA2A P29274 1/20 0.44
EGFR P00533 1/20 0.42
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL24092763 0.84 TYMS (0.45) CSNK1DCSNK1G2CSNK1A1GSK3BAPP
SCHEMBL20961864 0.82 LMNA (0.61) MAPTPOLBRAB9ALMNASMN1; SMN2
SCHEMBL12109509 0.81 ALDH1A1 (0.58) APPMAPTEGFRPOLBRAB9A
SCHEMBL12331846 0.81 ADORA2A (0.64) CSNK1DCSNK1G2CSNK1A1GSK3BADORA2A
SCHEMBL19216416 0.80 PLAU (0.56) APPMAPTEGFRPOLBALDH1A1
SCHEMBL2146355 0.80 ALDH1A1 (0.56) MAPTADORA2AEGFRRAB9ALMNA
SCHEMBL25749256 0.80 MEN1 (0.54) APPMAPTPOLBRAB9AHTT
SCHEMBL28376156 0.80 ALDH1A1 (0.61) MAPTPOLBRAB9AGFERSMN1; SMN2
Hydrochloric Acid SCHEMBL20291496 0.80 ADORA2A (0.62) CSNK1DCSNK1G2CSNK1A1GSK3BADORA2A
SCHEMBL9979367 0.80 ALPL (0.51) ADORA2AKDRHRH4

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-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 EP disclosed