SCHEMBL6004906

SCHEMBL6004906

Cc1cc(Oc2ccnc3ccccc23)c(-c2cccnc2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
CYP2A6 P11509 2/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
BRAF P15056 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RIPK2 O43353 1/20 0.37
RET P07949 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
SCHEMBL3897825 0.86 SRC (0.50) TGFBR1PDGFRBPDGFRA
SCHEMBL3907471 0.82 SRC (0.44) TGFBR1CYP3A4CYP2D6KDRPDGFRB
SCHEMBL6004204 0.82 TGFBR1 (0.39) TGFBR1BRAF
SCHEMBL6004844 0.81 TGFBR1 (0.44) TGFBR1CYP2A6ALDH1A1MEN1KMT2A
SCHEMBL6002905 0.81 TGFBR1 (0.44) TGFBR1CYP2A6RIPK2RETKDR
SCHEMBL6004307 0.80 TGFBR1 (0.52) TGFBR1MAPTALDH1A1NPSR1BRAF
SCHEMBL3901753 0.80 PDPK1 (0.55) TGFBR1KDR
SCHEMBL3905940 0.80 TGFBR1 (0.40) TGFBR1BRAF
SCHEMBL3903438 0.79 SRC (0.46) TGFBR1CYP3A4CYP2D6KDRPDGFRB
SCHEMBL3894713 0.79 SRC (0.43) TGFBR1CYP3A4CYP2D6KDR

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-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed