SCHEMBL22017240

SCHEMBL22017240

CN1CCN(Cc2ccc(NC(=O)c3ccc(OCCCCl)c(N)c3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 1/20 0.49
KIT P10721 4/20 0.47
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
DYRK1A Q13627 1/20 0.46
ABL1 P00519 1/20 0.43
EGFR P00533 5/20 0.43
BRAF P15056 1/20 0.43
RAB9A P51151 2/20 0.43
PAICS P22234 1/20 0.42
DDR2 Q16832 1/20 0.42
MAPK14 Q16539 1/20 0.42
BTK Q06187 1/20 0.42
WNT3A P56704 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDR P35968 1/20 0.41
DDR1 Q08345 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
SCHEMBL22017395 0.86 EGFR (0.49) MAPK7KITCLK2CLK3DYRK1A
SCHEMBL22017237 0.86 MAPT (0.56) MAPK7EGFRL3MBTL1
SCHEMBL22017241 0.81 KIT (0.62) KITABL1EGFRBRAF
SCHEMBL22018091 0.79 KIT (0.61) KITABL1EGFRBRAF
SCHEMBL773064 0.74 MAPK7 (0.56) MAPK7CLK2CLK3DYRK1AABL1
SCHEMBL13880941 0.70 KMT2A (0.58) KITEGFRRAB9AMAPK14BTK
SCHEMBL22017244 0.70 HRH3 (0.34) KITEGFRMAPK14WNT3A
SCHEMBL23246028 0.69 MAPK7 (0.47) MAPK7CLK2CLK3DYRK1ARAB9A
SCHEMBL29618436 0.69 MAPK7 (0.47) MAPK7CLK2CLK3DYRK1ARAB9A
SCHEMBL17740333 0.69 HPGD (0.54) KITEGFRRAB9AMAPK14BTK

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
WO-2020098710-A1 SUBSTITUTED BIS-ARYL AMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREFOR 中国医学科学院医药生物技术研究所 2020-05-22 WO disclosed