SCHEMBL6004166

SCHEMBL6004166

Cc1cc(Oc2ncnc3ccc(Br)cc23)c(-c2ccccn2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
EGFR P00533 2/20 0.40
KDR P35968 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6002912 0.88 TGFBR1 (0.48) TGFBR1KDM4ENPC1EGFRMAPT
SCHEMBL6002915 0.87 TGFBR1 (0.45) TGFBR1KDM4ENPC1EGFRSMN1; SMN2
SCHEMBL6004756 0.86 TGFBR1 (0.56) TGFBR1KDM4ENPC1EGFRMAPT
SCHEMBL6004264 0.86 TGFBR1 (0.48) TGFBR1KDM4ENPC1EGFRMAPT
SCHEMBL6004691 0.84 TGFBR1 (0.52) TGFBR1EGFRKDR
SCHEMBL6004714 0.80 TGFBR1 (0.46) TGFBR1KDM4ENPC1EGFRKDR
SCHEMBL6004360 0.80 MRGPRX1 (0.58) TGFBR1KDM4ENPC1KDRSMN1; SMN2
SCHEMBL6002846 0.80 TGFBR1 (0.48) TGFBR1KDM4ENPC1EGFRCYP1A2
SCHEMBL6004307 0.75 TGFBR1 (0.52) TGFBR1KDM4ENPC1MAPTALDH1A1
SCHEMBL6002965 0.75 TGFBR1 (0.49) TGFBR1KDM4ENPC1SMN1; SMN2MAPT

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