SCHEMBL7475213

SCHEMBL7475213

COc1cc2c(cc1OC)C(=CCCNc1ccc(CCCN)cc1)C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.43
TLK2 Q86UE8 3/20 0.41
BRD4 O60885 2/20 0.39
CHEK1 O14757 2/20 0.37
ALK Q9UM73 2/20 0.36
NTRK1 P04629 2/20 0.36
LRRK2 Q5S007 1/20 0.35
NTRK3 Q16288 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
GSK3B P49841 2/20 0.35

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
SCHEMBL7474781 0.83 RET (0.50) RETTLK2BRD4GSK3B
SCHEMBL7480965 0.82 RET (0.45) RETTLK2BRD4NTRK1NTRK3
SCHEMBL7474878 0.82 ACHE (0.42) RETTLK2CHEK1
SCHEMBL7479489 0.82 RET (0.42) RETTLK2BRD4CHEK1ALK
SCHEMBL7475792 0.82 RET (0.48) RETTLK2BRD4NTRK1
SCHEMBL7472918 0.81 RET (0.54) RETTLK2BRD4LRRK2NTRK3
SCHEMBL6337433 0.80 RET (0.43) RETTLK2BRD4CHEK1LRRK2
SCHEMBL7473364 0.80 RET (0.47) RETTLK2BRD4CHEK1MAPT
SCHEMBL7473409 0.80 TLK2 (0.44) RETTLK2BRD4CHEK1NTRK1
SCHEMBL7476920 0.80 RET (0.45) RETTLK2BRD4ALKNTRK1

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-1212318-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-06-12 EP disclosed
WO-2001016130-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-08 WO disclosed