SCHEMBL21702385

SCHEMBL21702385

C=C(N)c1ccc2nccc(-c3c(-c4cccc(C)n4)nn4c3CCC4)c2c1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.84
MAPK14 Q16539 8/20 0.84
KDR P35968 3/20 0.84
TGFBR2 P37173 3/20 0.84
GAK O14976 1/20 0.84
RIPK2 O43353 1/20 0.84
MAP4K4 O95819 1/20 0.84
ACVR1B P36896 1/20 0.84
CSNK1A1 P48729 1/20 0.84
CSNK1D P48730 1/20 0.84
CSNK1E P49674 1/20 0.84
TGFB2 P61812 1/20 0.84
MINK1 Q8N4C8 1/20 0.84
COQ8A Q8NI60 1/20 0.84
TNIK Q9UKE5 1/20 0.84
RIPK3 Q9Y572 1/20 0.84
THRB P10828 7/20 0.71
MAP3K20 Q9NYL2 2/20 0.51
CYP2D6 P10635 1/20 0.51

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
Galunisertib SCHEMBL29362145 0.91 TGFBR1 (1.00) TGFBR1MAPK14KDRTGFBR2GAK
Galunisertib SCHEMBL12922153 0.91 TGFBR1 (1.00) TGFBR1MAPK14KDRTGFBR2GAK
Galunisertib SCHEMBL29438525 0.91 TGFBR1 (0.98) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL414159 0.90 TGFBR1 (0.87) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL15678350 0.90 TGFBR1 (0.87) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL29773207 0.89 TGFBR1 (0.95) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL23852042 0.87 TGFBR1 (0.80) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL31461245 0.87 TGFBR1 (0.80) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL1027982 0.87 TGFBR1 (0.80) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL373341 0.86 TGFBR1 (1.00) TGFBR1MAPK14KDRTGFBR2GAK

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-2020033129-A1 REJUVENATION OF CAR T CELL PURDUE RESEARCH FOUNDATION (US) 2020-02-13 WO disclosed