SCHEMBL4420902

SCHEMBL4420902

COc1cc(C(=O)c2c(C(=O)O)ccn3cncc23)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 1/20 0.46
▸ ABCC8 Q09428 1/20 0.46
▸ KCNJ11 Q14654 1/20 0.46
▸ KCNJ8 Q15842 1/20 0.46
▸ IRAK4 Q9NWZ3 6/20 0.37
▸ PYGL P06737 5/20 0.37
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ P4HTM Q9NXG6 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL4420899 0.79 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8IRAK4
SCHEMBL29440834 0.75 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8PYGL
SCHEMBL15903926 0.75 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8PYGL
SCHEMBL1573154 0.70 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8PYGL
SCHEMBL7078236 0.69 CYP1A2 (0.55) ABCC9ABCC8KCNJ11KCNJ8IRAK4
SCHEMBL29785065 0.65 TSHR (0.74) TSHRNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL2552734 0.65 TSHR (0.74) TSHRNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL6555240 0.64 CYP1A2 (0.54) ABCC9ABCC8KCNJ11KCNJ8TSHR
SCHEMBL1238843 0.64 CYP1A2 (0.54) ABCC9ABCC8KCNJ11KCNJ8TSHR
SCHEMBL6811200 0.64 MAPT (0.54) ABCC9ABCC8KCNJ11KCNJ8TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018165-A1 FGF-PECEPTOR AGONIST DIMERIC COMPOUNDS Sanofi-Aventis (FR) 2009-01-28 — — EP disclosed
WO-2007080325-A1 FGF-RECEPTOR AGONIST DIMERIC COMPOUNDS SANOFI-AVENTIS (FR) 2007-07-19 — — WO disclosed
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