SCHEMBL29550433

SCHEMBL29550433

Cc1n[nH]c2cc(-c3cccc(C(F)(F)F)c3)cnc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PARP1 P09874 1/20 0.47
IKBKB O14920 1/20 0.47
GRIN2B Q13224 10/20 0.47
GRIN1 Q05586 5/20 0.47
PIM1 P11309 1/20 0.46
IDO1 P14902 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
SCN2A Q99250 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NOTUM Q6P988 1/20 0.42

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
SCHEMBL22775716 1.00 KDM4E (0.50) KDM4ERAB9ASMN1; SMN2PARP1IKBKB
SCHEMBL12907428 0.80 HDAC1 (0.51) IKBKBPIM1IDO1NOTUM
SCHEMBL22775369 0.78 GRIN2B (0.47) KDM4ERAB9ASMN1; SMN2PARP1GRIN2B
SCHEMBL20049822 0.76 ALDH1A1 (0.51) SMN1; SMN2PARP1GRIN2BGRIN1IDO1
SCHEMBL29525216 0.74 GRIN1 (0.50) GRIN2BGRIN1IDO1SCN2A
SCHEMBL17759200 0.74 GRIN1 (0.50) GRIN2BGRIN1IDO1SCN2A
SCHEMBL20171236 0.73 ALDH1A1 (0.50) SMN1; SMN2PARP1GRIN2BGRIN1ALDH1A1
SCHEMBL29636088 0.72 PLK4 (0.65) GRIN2BGRIN1PIM1
SCHEMBL28736423 0.72 PLK4 (0.65) GRIN2BGRIN1PIM1
SCHEMBL29636092 0.72 PLK4 (0.65) GRIN2BGRIN1PIM1

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-3983075-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 EP disclosed