SCHEMBL29938802

SCHEMBL29938802

CC(C)(N)c1ccnc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.50
AXL P30530 1/20 0.50
ROCK1 Q13464 3/20 0.45
IKBKB O14920 3/20 0.45
CHUK O15111 3/20 0.45
AURKB Q96GD4 3/20 0.45
JAK2 O60674 3/20 0.45
JAK3 P52333 3/20 0.45
PRKACA P17612 2/20 0.45
PRKCQ Q04759 2/20 0.45
DAPK3 O43293 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45
FGFR1 P11362 1/20 0.45
FLT1 P17948 1/20 0.45
LTK P29376 1/20 0.45

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
SCHEMBL179480 0.85 PRKCI (0.53) PRKCIAXLROCK1IKBKBCHUK
SCHEMBL12915020 0.81 PRKCI (0.49) PRKCIAXLROCK1IKBKBCHUK
SCHEMBL10298661 0.79 PRKCI (0.47) PRKCIAXLROCK1IKBKBCHUK
SCHEMBL19286544 0.78 PRKCI (0.46) PRKCIAXLROCK1IKBKBCHUK
SCHEMBL1823256 0.78 PRKCI (0.53) PRKCIAXLROCK1IKBKBCHUK
SCHEMBL26953023 0.75 NUDT1 (0.55) PRKCIAXLROCK1IKBKBCHUK
SCHEMBL26953143 0.74 CIT (0.62) PRKCIROCK1IKBKBCHUKAURKB
SCHEMBL31735031 0.74 CIT (0.62) PRKCIROCK1IKBKBCHUKAURKB
SCHEMBL31734974 0.73 IKBKB (0.64) PRKCIROCK1IKBKBCHUKAURKB
SCHEMBL26953024 0.73 IKBKB (0.64) PRKCIROCK1IKBKBCHUKAURKB

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
EP-4326257-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS ChemoCentryx, Inc. (US) 2024-02-28 EP disclosed
WO-2022225832-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS CHEMOCENTRYX, INC. (US) 2022-10-27 WO disclosed