SCHEMBL30876115

SCHEMBL30876115

Cc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.45
KDR P35968 9/20 0.45
KIT P10721 3/20 0.45
SRC P12931 3/20 0.45
BACE1 P56817 1/20 0.44
ABL1 P00519 1/20 0.42
PDGFRA P16234 1/20 0.42
MAPK14 Q16539 7/20 0.42
JAK3 P52333 6/20 0.42
TEK Q02763 4/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPBWR1 P48145 2/20 0.39
PIK3CA P42336 1/20 0.38
BRAF P15056 1/20 0.37

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
SCHEMBL20660638 1.00 LCK (0.45) LCKKDRKITSRCBACE1
SCHEMBL20660512 0.83 ALDH1A1 (0.43) LCKKDRKITSRCBACE1
SCHEMBL20660563 0.82 LCK (0.43) LCKKDRKITSRCMAPK14
SCHEMBL30116105 0.82 LCK (0.43) LCKKDRKITSRCMAPK14
SCHEMBL20671018 0.82 ALDH1A1 (0.46) LCKKDRBACE1MAPK14JAK3
SCHEMBL21626139 0.82 BACE1 (0.50) LCKKDRKITSRCBACE1
SCHEMBL20660414 0.80 CYP1A2 (0.41) LCKKDRKITSRCABL1
SCHEMBL20660507 0.80 ALDH1A1 (0.40) LCKKDRKITSRCMAPK14
SCHEMBL20660522 0.79 BACE1 (0.54) LCKKDRKITSRCBACE1
SCHEMBL20660457 0.78 PIK3CA (0.47) LCKKDRMAPK14JAK3TEK

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
CN-111683950-B AhR modulators 伊迪亚生物科学有限公司 2024-04-16 CN disclosed