SCHEMBL175189

SCHEMBL175189

CCc1cc2nc(C(F)(F)c3ccc(F)cc3)nc(Nc3cc[nH]n3)c2s1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.32
GRK6 P43250 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL166231 0.86 NTRK1 (0.44) NTRK1GRK6
SCHEMBL174383 0.85 PRKCI (0.34)
SCHEMBL175046 0.80 PAK4 (0.33)
SCHEMBL174490 0.78 AURKB (0.41) NTRK1GRK6MEN1KMT2A
SCHEMBL174171 0.77 NTRK1 (0.41) NTRK1MEN1KMT2A
SCHEMBL174445 0.76 CCNE2 (0.44) NTRK1GRK6MEN1KMT2A
SCHEMBL174795 0.76 FLT3 (0.36) NTRK1MEN1KMT2A
SCHEMBL173271 0.75 AURKB (0.44) NTRK1GRK6MEN1KMT2A
SCHEMBL13011344 0.75 CTNNB1 (0.38) NTRK1GRK6MEN1KMT2A
SCHEMBL175164 0.72 MEN1 (0.38) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611812-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP claimed
WO-2012030894-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO claimed
EP-2611812-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030894-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed