SCHEMBL22917565

SCHEMBL22917565

C=CC(O)N(C)[C@@H](C)C(=O)NCCNc1cc(Nc2ncc(-c3ccccc3)s2)nc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.44
FLT3 P36888 7/20 0.43
KIT P10721 4/20 0.43
LCK P06239 2/20 0.42
KDR P35968 10/20 0.41
AURKA O14965 4/20 0.41
CHEK1 O14757 2/20 0.41
GSTO1 P78417 1/20 0.39
CDK7 P50613 2/20 0.39
ABL1 P00519 2/20 0.38
CSF1R P07333 1/20 0.38
PDGFRB P09619 1/20 0.38
MAP2K2 P36507 1/20 0.38
SIK1 P57059 1/20 0.37
SIK2 Q9H0K1 1/20 0.37
SIK3 Q9Y2K2 1/20 0.37

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
SCHEMBL28912477 0.89 SRC (0.44) SRCFLT3KITLCKKDR
SCHEMBL22917461 0.89 SRC (0.44) SRCFLT3KITLCKKDR
SCHEMBL22917462 0.85 FLT3 (0.46) SRCFLT3KITLCKKDR
SCHEMBL28912456 0.85 FLT3 (0.46) SRCFLT3KITLCKKDR
SCHEMBL22917566 0.84 SRC (0.47) SRCFLT3KITLCKKDR
SCHEMBL29616333 0.83 SRC (0.49) SRCFLT3KITLCKKDR
SCHEMBL22917463 0.83 SRC (0.49) SRCFLT3KITLCKKDR
SCHEMBL28912515 0.83 SRC (0.42) SRCFLT3KITLCKKDR
SCHEMBL22917499 0.83 SRC (0.42) SRCFLT3KITLCKKDR
SCHEMBL22917588 0.83 CHEK1 (0.43) SRCFLT3KITLCKKDR

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-2021016102-A1 INHIBITORS OF TYROSINE KINASE BRIDGENE BIOSCIENCES, INC. (US) 2021-01-28 WO disclosed