SCHEMBL29616288

SCHEMBL29616288

Cc1nc(NCCC(C)C(N)=O)cc(Nc2ncc(-c3ccncc3)s2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 14/20 0.51
KIT P10721 13/20 0.51
SRC P12931 3/20 0.51
NTRK1 P04629 2/20 0.51
CHEK1 O14757 2/20 0.44
LIMK1 P53667 1/20 0.44
LCK P06239 1/20 0.43
ABL1 P00519 1/20 0.43
SIK1 P57059 1/20 0.43
SIK2 Q9H0K1 1/20 0.43
SIK3 Q9Y2K2 1/20 0.43
CDK7 P50613 1/20 0.41
AURKA O14965 1/20 0.41
KDR P35968 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
SCHEMBL29616316 0.91 SRC (0.50) FLT3KITSRCCHEK1LCK
SCHEMBL29539419 0.86 KIT (0.57) FLT3KITSRCNTRK1CHEK1
SCHEMBL22917465 0.86 KIT (0.57) FLT3KITSRCNTRK1CHEK1
SCHEMBL29616393 0.85 FLT3 (0.51) FLT3KITSRCNTRK1CHEK1
SCHEMBL29616151 0.84 FLT3 (0.54) FLT3KITSRCNTRK1CHEK1
SCHEMBL22917727 0.81 KIT (0.49) FLT3KITSRCNTRK1CHEK1
SCHEMBL22917725 0.81 KIT (0.49) FLT3KITSRCNTRK1CHEK1
SCHEMBL29616407 0.81 KIT (0.49) FLT3KITSRCNTRK1CHEK1
SCHEMBL22917522 0.81 KIT (0.54) FLT3KITSRCNTRK1CHEK1
SCHEMBL22917509 0.79 KIT (0.49) FLT3KITSRCNTRK1CHEK1

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-3999064-A1 INHIBITORS OF TYROSINE KINASE Bridgene Biosciences, Inc. (US) 2022-05-25 EP disclosed