SCHEMBL20895103

SCHEMBL20895103

Cc1ccc(C(=O)O)cc1C#Cc1csc2c(Nc3ccc(N4CCOCC4)cc3)ncnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.49
MAPT P10636 7/20 0.43
HTT P42858 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EGFR P00533 1/20 0.41
MAPK1 P28482 2/20 0.40
AHR P35869 1/20 0.40
TTBK1 Q5TCY1 1/20 0.39
TTBK2 Q6IQ55 1/20 0.39
LCK P06239 1/20 0.39
BRAF P15056 1/20 0.39

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
SCHEMBL2233153 0.90 GAA (0.50) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL14058374 0.90 PTK2 (0.47) CSNK2A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2299923 0.81 PTK2 (0.50) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL20895109 0.78 EGFR (0.43) EGFRLCK
SCHEMBL2313044 0.77 MAPT (0.45) CSNK2A1MAPTALDH1A1BRAFABL1
SCHEMBL14137147 0.75 MAPT (0.52) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL20895384 0.75 CSNK2A1 (0.41) CSNK2A1MAPTABL1BCR
SCHEMBL2233664 0.75 ABL1 (0.48) CSNK2A1MAPTHTTALDH1A1KDM4E
SCHEMBL2233672 0.75 ABL1 (0.48) CSNK2A1MAPTHTTALDH1A1KDM4E
SCHEMBL14057141 0.74 PTK2 (0.48) CSNK2A1MAPTSMN1; SMN2NPC1RAB9A

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
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP claimed