SCHEMBL19623177

SCHEMBL19623177

Cc1cn2cc(NC(=O)c3cnc(N4CCNCC4)cc3PCC(F)(F)F)cc(F)c2n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 3/20 0.38
▸ BRAF P15056 3/20 0.38
▸ IRAK4 Q9NWZ3 8/20 0.36
▸ FSCN1 Q16658 1/20 0.36
▸ IKBKE Q14164 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ HPGDS O60760 1/20 0.34
▸ WDR5 P61964 1/20 0.34
▸ USP28 Q96RU2 2/20 0.34
▸ MAPK7 Q13164 1/20 0.34

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
SCHEMBL16339537 0.86 IKBKE (0.41) RAF1BRAFIRAK4FSCN1IKBKE
SCHEMBL16340026 0.85 IRAK4 (0.38) RAF1BRAFIRAK4FSCN1IKBKE
SCHEMBL16339445 0.82 LCK (0.41) IRAK4FSCN1IKBKETBK1HTT
SCHEMBL16339353 0.82 IKBKE (0.39) RAF1BRAFIRAK4FSCN1IKBKE
SCHEMBL16339859 0.80 LCK (0.39) IRAK4FSCN1IKBKETBK1HTT
SCHEMBL16339453 0.79 IRAK4 (0.39) RAF1BRAFIRAK4IKBKETBK1
SCHEMBL24033086 0.79 HDAC3 (0.52) MAPK7
SCHEMBL16339631 0.79 HDAC2 (0.51) HPGDSMAPK7
SCHEMBL16339258 0.79 HDAC2 (0.37) RAF1BRAFIRAK4FSCN1IKBKE
Hydrochloric Acid SCHEMBL17765374 0.78 HDAC2 (0.50) HPGDSMAPK7

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-3013345-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN LA ROCHE (CH) 2017-11-22 — — EP disclosed
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