SCHEMBL22509690

SCHEMBL22509690

Cc1ccc2nc(N)c(F)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCK1 P16333 1/20 0.53
BACE1 P56817 1/20 0.53
CYP1A2 P05177 3/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PSMB5 P28074 1/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
SLC14A1 Q13336 1/20 0.40
NQO2 P16083 1/20 0.39
CYP2A6 P11509 2/20 0.39
HSD17B14 Q9BPX1 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL30908485 0.85 NCK1 (0.48) NCK1BACE1CYP1A2MEN1KMT2A
SCHEMBL22509697 0.85 NCK1 (0.48) NCK1BACE1CYP1A2MEN1KMT2A
SCHEMBL4864428 0.80 NCK1 (0.57) NCK1BACE1CYP1A2MEN1KMT2A
SCHEMBL14702032 0.80 NCK1 (0.57) NCK1BACE1CYP1A2MEN1KMT2A
SCHEMBL22509757 0.77 NCK1 (0.53) NCK1BACE1CYP1A2MEN1KMT2A
SCHEMBL22509834 0.77 NCK1 (0.53) NCK1BACE1CYP1A2MEN1KMT2A
SCHEMBL20377250 0.77 NCK1 (0.53) NCK1BACE1CYP1A2MEN1KMT2A
SCHEMBL22521412 0.77 BACE1 (0.41) BACE1MEN1KMT2ARAB9AMAPT
SCHEMBL22521421 0.77 KMT2A (0.50) CYP1A2MEN1KMT2ARAB9AMAPT
SCHEMBL22509841 0.76 MEN1 (0.60) NCK1BACE1CYP1A2MEN1KMT2A

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
WO-2020205867-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed