SCHEMBL16168686

SCHEMBL16168686

Cc1cccc(-c2ncn[nH]2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.64
ENPP2 Q13822 1/20 0.64
METAP2 P50579 1/20 0.46
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PRKDC P78527 1/20 0.43
PIN1 Q13526 1/20 0.43
NOTUM Q6P988 1/20 0.42
NR1I3 Q14994 1/20 0.42
NPY5R Q15761 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EGFR P00533 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL5382298 0.83 GAK (0.56) IDO1ENPP2HTR7
SCHEMBL1334565 0.78 IDO1 (1.00) IDO1ENPP2NOTUM
SCHEMBL1985682 0.78 IDO1 (0.64) IDO1ENPP2EGFR
SCHEMBL3080603 0.78 ENPP2 (1.00) IDO1ENPP2METAP2PIK3CDPIK3CA
SCHEMBL2659146 0.78 IDO1 (0.64) IDO1ENPP2METAP2NPC1RAB9A
SCHEMBL10022419 0.77 IDO1 (0.58) IDO1ENPP2METAP2EGFR
SCHEMBL2721372 0.76 IDO1 (0.60) IDO1ENPP2NPY5RNISCH
SCHEMBL8136764 0.75 ENPP2 (0.55) IDO1ENPP2NOTUMNPC1RAB9A
SCHEMBL25029655 0.74 IDO1 (0.54) IDO1ENPP2METAP2EGFR
SCHEMBL8268404 0.73 BTK (0.61) IDO1METAP2PIN1NOTUMNR1I3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081841-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
EP-2600874-B1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2015-03-04 EP disclosed
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed