SCHEMBL29549166

SCHEMBL29549166

C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)nc(N)c1Cl

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 12/20 0.76
SRC P12931 14/20 0.75
FGFR1 P11362 10/20 0.75
MAP2K1 Q02750 4/20 0.75
MAPK1 P28482 2/20 0.75
HCK P08631 1/20 0.61
FLT3 P36888 1/20 0.60

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
SCHEMBL22807435 1.00 MAP3K7 (0.76) MAP3K7SRCFGFR1MAP2K1MAPK1
SCHEMBL22828520 0.86 SRC (1.00) MAP3K7SRCFGFR1MAP2K1MAPK1
SCHEMBL31684786 0.86 SRC (1.00) MAP3K7SRCFGFR1MAP2K1MAPK1
SCHEMBL22807484 0.82 SRC (0.70) MAP3K7SRCFGFR1MAP2K1MAPK1
SCHEMBL22807490 0.82 SRC (0.83) MAP3K7SRCFGFR1MAP2K1MAPK1
SCHEMBL18018944 0.82 SRC (0.69) MAP3K7SRCFGFR1MAP2K1MAPK1
SCHEMBL22807431 0.82 SRC (0.69) MAP3K7SRCFGFR1MAP2K1MAPK1
SCHEMBL22807493 0.81 SRC (0.82) MAP3K7SRCFGFR1MAP2K1MAPK1
SCHEMBL22807377 0.81 SRC (0.82) MAP3K7SRCFGFR1MAP2K1MAPK1
SCHEMBL28980984 0.81 SRC (0.82) MAP3K7SRCFGFR1MAP2K1MAPK1

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-3986411-A1 SMALL MOLECULE INHIBITORS OF SRC TYROSINE KINASE Dana-Farber Cancer Institute, Inc. (US) 2022-04-27 EP disclosed