SCHEMBL29424847

SCHEMBL29424847

COC(=O)c1ccc2c(c1)ncn2Cc1ccc(B(O)O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.47
▸ POLB P06746 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TNF P01375 1/20 0.44
▸ PPARG P37231 6/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL22533573 1.00 FGFR1 (0.47) FGFR1POLBMAPTTNFPPARG
SCHEMBL29424816 0.92 BRD4 (0.47) FGFR1POLBMAPTTNFBRD4
SCHEMBL22533603 0.92 BRD4 (0.47) FGFR1POLBMAPTTNFBRD4
SCHEMBL22533723 0.87 TNF (0.48) FGFR1TNFPPARGCYP11B1CYP11B2
SCHEMBL29424729 0.87 TNF (0.48) FGFR1TNFPPARGCYP11B1CYP11B2
SCHEMBL22533861 0.85 FGFR1 (0.48) FGFR1POLBMAPTTNFPPARG
SCHEMBL22533917 0.85 BRD4 (0.52) FGFR1PPARGBRD4KDM4ESMN1; SMN2
SCHEMBL27442463 0.80 TNF (0.47) FGFR1TNFPPARGCYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL22533756 0.79 BRD4 (0.49) FGFR1PPARGBRD4EPHX2
SCHEMBL22533669 0.79 TNF (0.48) FGFR1TNFBRD4LMNAMAPK1

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-114040915-A Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors 里伯赛恩斯有限责任公司 2022-02-11 — — CN disclosed
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