SCHEMBL9165014

SCHEMBL9165014

Cc1cnc2c(-c3cccc(C(F)(F)F)c3)n[nH]c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
NOTUM Q6P988 1/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2B Q13224 3/20 0.43
IKBKB O14920 1/20 0.43
MAPK14 Q16539 2/20 0.42
LRRK2 Q5S007 1/20 0.41
IDO1 P14902 1/20 0.40
TRPA1 O75762 1/20 0.40
MAPT P10636 1/20 0.40
SCN2A Q99250 1/20 0.40
MAPK11 Q15759 1/20 0.39
CYP1A2 P05177 1/20 0.39
ROCK1 Q13464 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL9169239 0.82 PIM1 (0.55) PIM1SMN1; SMN2KDM4ERAB9ANOTUM
SCHEMBL28636871 0.76 PIM1 (0.50) PIM1SMN1; SMN2NOTUMIKBKBMAPK14
SCHEMBL9169037 0.75 ALDH1A1 (0.58) KDM4EGRIN1GRIN2BMAPTCYP1A2
SCHEMBL9163642 0.73 NPSR1 (0.56) KDM4EGRIN1GRIN2BMAPTKDM5B
SCHEMBL9166887 0.73 NPSR1 (0.55) SMN1; SMN2KDM4ERAB9AGRIN2BMAPT
SCHEMBL11624173 0.72 MAPK14 (0.62) PIM1SMN1; SMN2NOTUMIKBKBMAPK14
SCHEMBL28657289 0.72 PIM1 (0.44) PIM1SMN1; SMN2KDM4ENOTUMIKBKB
SCHEMBL10429345 0.69 TDO2 (0.51) PIM1NOTUMMAPK14SCN2AMAPK11
SCHEMBL2556657 0.69 MGLL (0.47) KDM4EGRIN1GRIN2BIKBKBIDO1
SCHEMBL31014304 0.68 ATM (0.61) SMN1; SMN2KDM4ERAB9ATRPA1MAPT

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
EP-0555957-A1 Pyrido 2,3-d pyridazine derivatives as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-08-18 EP claimed
US-5405826-A Herbicidal pyridopyridazinones and pyridopyridazinethiones RHONE POULENC AGRICULTURE LIMITED (GB) 1995-04-11 US disclosed
EP-0555957-A1 Pyrido 2,3-d pyridazine derivatives as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-08-18 EP disclosed