SCHEMBL22017395

SCHEMBL22017395

CCC(=O)Nc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)nc2)ccc1OCCCCl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.49
WNT3A P56704 9/20 0.48
MAPK7 Q13164 1/20 0.47
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
DYRK1A Q13627 1/20 0.42
BRAF P15056 2/20 0.41
ABL1 P00519 2/20 0.41
KIT P10721 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
NR4A1 P22736 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL22017240 0.86 MAPK7 (0.49) EGFRWNT3AMAPK7CLK2CLK3
SCHEMBL22017237 0.83 MAPT (0.56) EGFRMAPK7MAPT
SCHEMBL22018092 0.82 BRAF (0.60) EGFRBRAFABL1KIT
SCHEMBL22018093 0.80 BRAF (0.59) EGFRBRAFABL1KIT
SCHEMBL22017243 0.78 KMT2A (0.57) EGFRWNT3AMAPTALOX15SMN1; SMN2
SCHEMBL773064 0.71 MAPK7 (0.56) MAPK7CLK2CLK3DYRK1AABL1
SCHEMBL22017772 0.71 BRAF (0.64) EGFRBRAFABL1KIT
SCHEMBL22017588 0.70 TMPRSS2 (0.64) EGFRBRAFABL1
SCHEMBL22017247 0.69 BRAF (0.62) EGFRBRAFABL1KIT
SCHEMBL28543044 0.69 WNT3A (0.39) WNT3A

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