SCHEMBL17328622

SCHEMBL17328622

CCc1cc(Br)n(-c2cccc(C)n2)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.51
RECQL P46063 1/20 0.41
TGFB2 P61812 1/20 0.38
MAPT P10636 1/20 0.38
IRAK4 Q9NWZ3 9/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 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
SCHEMBL2009561 0.82 TGFBR1 (0.51) TGFBR1RECQLTGFB2MAPTIRAK4
SCHEMBL4315973 0.74 TGFBR1 (0.45) TGFBR1RECQLTGFB2MAPTIRAK4
SCHEMBL27761145 0.72 TGFBR1 (0.45) TGFBR1RECQLTGFB2MAPTIRAK4
SCHEMBL2011373 0.71 TGFBR1 (0.42) TGFBR1RECQLTGFB2MAPTIRAK4
SCHEMBL27382529 0.71 TGFBR1 (0.47) TGFBR1TGFB2MAPTIRAK4HTR3E
SCHEMBL23873841 0.69 TGFBR1 (0.54) TGFBR1IRAK4
SCHEMBL24095415 0.69 TGFBR1 (0.43) TGFBR1TGFB2IRAK4
SCHEMBL20979001 0.69 TGFBR1 (0.61) TGFBR1
SCHEMBL24142605 0.68 HTR3E (0.44) TGFBR1RECQLMAPTIRAK4HTR3E
SCHEMBL22822531 0.67 TGFBR1 (0.67) TGFBR1

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-2527345-B1 Therapeutic pyrazolyl thienopyridines THESAN PHARMACEUTICALS INC (US) 2015-12-16 EP disclosed