SCHEMBL23021684

SCHEMBL23021684

Cc1ccncc1OC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
KAT2B Q92831 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
LRRK2 Q5S007 3/20 0.41
OPRL1 P41146 2/20 0.40
PIK3CA P42336 2/20 0.39
PIK3R1 P27986 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
ATR Q13535 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
PDE4D Q08499 3/20 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
SCHEMBL23021681 0.88 CHRNB2 (0.47) CHRNB2CHRNA4GPR119AXLTYRO3
SCHEMBL23021685 0.81 IKBKB (0.55) CHRNB2CHRNA4IKBKBCHUK
Hydrochloric Acid SCHEMBL70622 0.79 IKBKB (0.53) CHRNB2CHRNA4IKBKBCHUK
SCHEMBL15779034 0.77 ATR (0.43) SYKKAT2BBAZ2BLRRK2PIK3CA
SCHEMBL29507205 0.77 KAT2B (0.39) SYKKAT2BBAZ2BLRRK2PIM1
SCHEMBL23022126 0.77 KAT2B (0.39) SYKKAT2BBAZ2BLRRK2PIM1
SCHEMBL12180578 0.76 KAT2B (0.56) SYKKAT2BBAZ2BPDE4DPDE4A
SCHEMBL23022184 0.76 KAT2B (0.50) KAT2BBAZ2BLRRK2PIM1PIM3
SCHEMBL25584602 0.74 IKBKB (0.40) CHRNB2CHRNA4OPRL1GPR119IKBKB
SCHEMBL29435759 0.72 LRRK2 (0.48) SYKKAT2BBAZ2BLRRK2IKBKB

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-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed