SCHEMBL5494348

SCHEMBL5494348

COc1ccc(-c2ccccc2C(N)=O)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 4/20 0.51
▸ MAPK10 P53779 4/20 0.51
▸ AR P10275 2/20 0.48
▸ PGR P06401 1/20 0.48
▸ BCAT2 O15382 1/20 0.46
▸ CTSA P10619 1/20 0.46
▸ S1PR1 P21453 1/20 0.43
▸ RORB Q92753 1/20 0.43
▸ P2RX3 P56373 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ GPR52 Q9Y2T5 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
SCHEMBL7762502 0.84 BCAT2 (0.56) BCAT2CTSAP2RX3LMNACHEK1
SCHEMBL5724135 0.81 PARP1 (0.56) BCAT2CTSAP2RX3LMNACHEK1
SCHEMBL31583298 0.81 BCAT2 (0.51) BCAT2RORBCHEK1PDK2
SCHEMBL6187171 0.80 BCAT2 (0.50) MAPK8MAPK10BCAT2RORBLMNA
SCHEMBL21357032 0.80 PTGS2 (0.58) BCAT2CTSALMNAHTT
SCHEMBL27635470 0.80 BCAT2 (0.63) BCAT2S1PR1RORBLMNACHEK1
SCHEMBL27635469 0.77 BCAT2 (0.62) ARBCAT2LMNACHEK1PDK2
SCHEMBL6187361 0.77 BCAT2 (0.44) MAPK8MAPK10BCAT2CHEK1PDK2
SCHEMBL9077062 0.76 RARA (0.56) HTT
SCHEMBL25295556 0.75 ALDH1A1 (0.52) MAPK8BCAT2CTSALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 — — EP claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 — — WO claimed
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