SCHEMBL4765990

SCHEMBL4765990

Cn1cc(-c2ccc3ncccc3n2)c(-c2ccccn2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 10/20 0.51
▸ PDE10A Q9Y233 3/20 0.45
▸ MAPK14 Q16539 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ METAP1 P53582 1/20 0.38
▸ CSNK1D P48730 2/20 0.37
▸ CSNK1E P49674 2/20 0.37
▸ BRD4 O60885 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
SCHEMBL19683489 0.86 TGFBR1 (0.59) TGFBR1PDE10AMAPK14
SCHEMBL3247895 0.77 TGFBR1 (0.68) TGFBR1MAPK14NPC1CSNK1DBRD4
SCHEMBL11992044 0.75 TGFBR1 (0.60) TGFBR1KDM4ENPC1METAP1
SCHEMBL27907019 0.73 MAPK14 (0.56) TGFBR1PDE10AMAPK14CSNK1DCSNK1E
SCHEMBL373397 0.73 TGFBR1 (0.56) TGFBR1MAPK14KDM4ENPC1METAP1
SCHEMBL8489264 0.71 CSNK1D (0.61) TGFBR1MAPK14CSNK1DCSNK1E
SCHEMBL13874006 0.69 KDM4E (0.43) KDM4ENPC1METAP1BRD4
SCHEMBL25818831 0.69 KDM4E (0.43) KDM4ENPC1METAP1BRD4
SCHEMBL29663058 0.69 ALDH1A1 (0.54) TGFBR1KDM4ENPC1
SCHEMBL5526916 0.69 MAP4K4 (0.51) TGFBR1PDE10AMAPK14NPC1CSNK1D

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
US-20120122212-A1 TGF-BETA PATHWAY INHIBITORS FOR ENHANCEMENT OF CELLULAR REPROGRAMMING OF HUMAN CELLS IPIERIAN, INC. 2012-05-17 — — US disclosed
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