SCHEMBL4415670

SCHEMBL4415670

Cc1c[nH]c(-c2cc(C(=O)NCc3cccc(C(N)=O)c3)cc(C(F)(F)F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.45
▸ ROCK1 Q13464 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PLA2G1B P04054 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ATG4B Q9Y4P1 1/20 0.44
▸ DDR2 Q16832 2/20 0.43
▸ F10 P00742 1/20 0.43
▸ MLYCD O95822 1/20 0.43
▸ CHRM3 P20309 1/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41

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
SCHEMBL5031562 0.78 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4412373 0.77 RXFP1 (0.45) GAANR1H4
SCHEMBL4412667 0.74 BTK (0.47) DDR2
SCHEMBL3827416 0.73 RXRA (0.44) MEN1KMT2A
Hydrochloric Acid SCHEMBL6171274 0.72 MLYCD (0.67) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL4695628 0.70 MITF (0.49) —
SCHEMBL4565580 0.70 P2RY14 (0.34) GAA
SCHEMBL5189113 0.69 KDR (0.48) DDR2
SCHEMBL13947481 0.69 MMP13 (0.60) ROCK2ROCK1MEN1KMT2ATDP1
SCHEMBL23447721 0.69 MLYCD (0.77) MEN1KMT2APLA2G1BCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 — — EP claimed
JP-2007504159-A — — 2007-03-01 — — JP claimed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 — — EP claimed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 — — WO claimed
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 — — EP disclosed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 — — EP disclosed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 — — WO disclosed
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