SCHEMBL3840893

SCHEMBL3840893

Cn1c(Nc2cccc(C(F)(F)F)c2)nc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
BRAF P15056 4/20 0.54
IDH2 P48735 3/20 0.54
NTRK1 P04629 1/20 0.53
NTRK2 Q16620 1/20 0.53
RAF1 P04049 1/20 0.53
PHGDH O43175 1/20 0.53
KDR P35968 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 3/20 0.50
TP53 P04637 2/20 0.50
ABCG2 Q9UNQ0 2/20 0.49
EGFR P00533 1/20 0.49
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL2889336 0.80 BRAF (0.70) BRAFRAF1KDR
SCHEMBL6204462 0.78 BRAF (0.72) BRAFRAF1KDR
SCHEMBL4976784 0.76 KIF11 (0.50) BRAFIDH2RAF1KDRMAPT
SCHEMBL12413883 0.75 HDAC6 (0.49) GAABRAFRAF1KDRNPC1
SCHEMBL13788619 0.75 BRAF (0.73) BRAFRAF1KDR
SCHEMBL2352223 0.75 DYRK1A (0.52) GAAPHGDH
SCHEMBL17432160 0.75 ABCG2 (0.65) GAAIDH2RAB9AMAPTTP53
SCHEMBL22507230 0.75 MEN1 (0.54) GAAPHGDHNPC1RAB9AMAPT
SCHEMBL17661777 0.74 RAB9A (0.68) GAANPC1RAB9AMAPTTP53
SCHEMBL14882044 0.73 GAA (0.58) GAANPC1RAB9AMAPTTP53

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-1499311-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-04 EP disclosed