SCHEMBL11684387

SCHEMBL11684387

CCCCNc1ncnc(SC)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HRH4 Q9H3N8 2/20 0.40
▸ MERTK Q12866 5/20 0.38
▸ FLT3 P36888 4/20 0.38
▸ TYRO3 Q06418 4/20 0.38
▸ GAS6 Q14393 4/20 0.38
▸ AXL P30530 1/20 0.38
▸ TLR8 Q9NR97 2/20 0.37
▸ SLC29A1 Q99808 1/20 0.37
▸ DNM2 P50570 2/20 0.37
▸ KCNH3 Q9ULD8 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ SRC P12931 1/20 0.35

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
SCHEMBL6256220 0.90 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C19CA1
SCHEMBL11460652 0.83 KCNH3 (0.43) MERTKTYRO3GAS6KCNH3
SCHEMBL9292846 0.82 TSHR (0.41) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL18757583 0.81 CXCR4 (0.38) CYP1A2CYP2D6FLT3
SCHEMBL516082 0.78 KCNH3 (0.54) HRH4DNM2KCNH3
SCHEMBL6448611 0.78 — —
SCHEMBL7093264 0.77 MEN1 (0.31) —
SCHEMBL31087485 0.76 SLC29A1 (0.42) HRH4MERTKFLT3TYRO3GAS6
SCHEMBL10572863 0.76 HRH4 (0.42) HRH4MERTKFLT3TYRO3GAS6
SCHEMBL6643508 0.76 KMT2A (0.49) HRH4MERTKTLR8SLC29A1DNM2

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-4015970-A FERTILIZER WITH POLYMERIC COATING AIRWICK INDUSTRIES, INC. (US) 1977-04-05 — — US disclosed
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