SCHEMBL5796180

SCHEMBL5796180

CCCCc1cc2c(NCCN3CCOCC3)ncc(C(N)=O)c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 3/20 0.46
▸ TYRO3 Q06418 1/20 0.46
▸ GAS6 Q14393 1/20 0.46
▸ CHEK1 O14757 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ JAK2 O60674 3/20 0.41
▸ JAK1 P23458 3/20 0.41
▸ TYK2 P29597 3/20 0.41
▸ JAK3 P52333 3/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41

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
SCHEMBL13606528 0.78 CHEK1 (0.56) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL4495900 0.70 JAK2 (0.61) JAK2JAK1TYK2JAK3
SCHEMBL11158275 0.68 MMP12 (0.50) CCNA2CDK2CCNA1LMNAHTT
SCHEMBL28282944 0.67 KDM4E (0.59) CCNA2CDK2CCNA1KDM4ESMN1; SMN2
SCHEMBL19494296 0.65 ALDH1A1 (0.63) CHEK1KMT2AMEN1KDM4ELMNA
SCHEMBL3344759 0.64 RXFP1 (0.52) KMT2AMEN1KDM4ELMNASMN1; SMN2
SCHEMBL34462305 0.64 MERTK (0.81) MERTKTYRO3GAS6TLR8TLR7
SCHEMBL4062438 0.63 CYP3A4 (0.54) KMT2AMEN1KDM4ELMNASMN1; SMN2
SCHEMBL16435447 0.63 MERTK (1.00) MERTKTYRO3GAS6
SCHEMBL14447665 0.62 JAK2 (0.43) JAK2JAK1TYK2JAK3TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556053-A4 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2006-04-19 — — EP disclosed
EP-1556053-A1 ANTIINFLAMMATION AGENTS Amgen Inc. (US) 2005-07-27 — — EP disclosed
WO-2004041285-A1 ANTIINFLAMMATION AGENTS AMGEN INC. (US) 2004-05-21 — — WO disclosed
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