SCHEMBL17208739

SCHEMBL17208739

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1OCc1cnc(N)cn1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 9/20 0.58
▸ KDR P35968 6/20 0.58
▸ MAPK14 Q16539 5/20 0.58
▸ BTK Q06187 5/20 0.58
▸ KIT P10721 4/20 0.58
▸ CSF1R P07333 4/20 0.58
▸ BRAF P15056 8/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ ABL1 P00519 1/20 0.53
▸ SRC P12931 1/20 0.53
▸ TEK Q02763 2/20 0.52
▸ BLK P51451 1/20 0.52
▸ JAK3 P52333 1/20 0.52
▸ RAF1 P04049 1/20 0.52
▸ PDGFRB P09619 1/20 0.52
▸ PDGFRA P16234 1/20 0.52

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
SCHEMBL17208690 0.84 CSF1R (0.66) LCKKDRMAPK14BTKKIT
SCHEMBL17208637 0.82 MAPT (0.61) LCKKDRMAPK14BTKKIT
SCHEMBL2855525 0.78 LCK (0.60) LCKKDRMAPK14BTKKIT
SCHEMBL17208638 0.77 EGFR (0.64) LCKKITCSF1RBRAFABL1
SCHEMBL17208612 0.77 MAPK14 (0.53) LCKKDRMAPK14BTKKIT
SCHEMBL374471 0.76 PTGS1 (0.70) LCKKDRMAPK14BTKKIT
Hydrochloric Acid SCHEMBL5004557 0.75 PTGS1 (0.68) LCKKDRMAPK14BTKKIT
SCHEMBL12858422 0.74 MEN1 (0.73) LCKKDRMAPK14BTKKIT
SCHEMBL2944882 0.74 LCK (1.00) LCKKDRMAPK14BTKKIT
SCHEMBL13220190 0.74 LCK (0.76) LCKKDRMAPK14BTKKIT

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-2937345-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2018-03-21 — — EP disclosed
EP-2937345-A2 Type II raf kinase inhibitors Dana-Farber Cancer Institute, Inc. (US) 2015-10-28 — — EP disclosed
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