SCHEMBL29773207

SCHEMBL29773207

Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCCC3)n1

nearest known ligand 0.95

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.95
MAPK14 Q16539 6/20 0.95
KDR P35968 3/20 0.95
GAK O14976 1/20 0.95
RIPK2 O43353 1/20 0.95
MAP4K4 O95819 1/20 0.95
ACVR1B P36896 1/20 0.95
TGFBR2 P37173 1/20 0.95
CSNK1A1 P48729 1/20 0.95
CSNK1D P48730 1/20 0.95
CSNK1E P49674 1/20 0.95
TGFB2 P61812 1/20 0.95
MINK1 Q8N4C8 1/20 0.95
COQ8A Q8NI60 1/20 0.95
TNIK Q9UKE5 1/20 0.95
RIPK3 Q9Y572 1/20 0.95
THRB P10828 5/20 0.67
TGFB1 P01137 1/20 0.55

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 SCHEMBL12922153 0.97 TGFBR1 (1.00) TGFBR1MAPK14KDRGAKRIPK2
Galunisertib SCHEMBL29362145 0.97 TGFBR1 (1.00) TGFBR1MAPK14KDRGAKRIPK2
Galunisertib SCHEMBL29438525 0.97 TGFBR1 (0.98) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL3360014 0.91 TGFBR1 (0.87) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL15678350 0.91 TGFBR1 (0.87) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL414159 0.91 TGFBR1 (0.87) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL21702385 0.89 TGFBR1 (0.84) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL373341 0.87 TGFBR1 (1.00) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL16695915 0.87 TGFBR1 (0.81) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL18347825 0.85 TGFBR1 (0.78) TGFBR1MAPK14KDRGAKRIPK2

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
CN-114736864-A Neural stem cell induced differentiation culture medium and induced differentiation method 武汉睿健医药科技有限公司 2022-07-12 CN disclosed