SCHEMBL27930638

SCHEMBL27930638

CCCCOC(=O)CNS(=O)(=O)c1ccc(CNNc2nc(NC3CCC3)c3cc[nH]c3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.38
▸ BTK Q06187 9/20 0.38
▸ AXL P30530 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ ADAMTS4 O75173 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTK2 Q05397 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
SCHEMBL27912569 0.86 PAK4 (0.39) JAK3BTKLRRK2KDM4E
SCHEMBL27912568 0.82 MMP2 (0.38) JAK3BTKAXLTYRO3MERTK
SCHEMBL25305775 0.65 L3MBTL1 (0.60) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL14547700 0.64 PAK4 (0.53) JAK3BTKMERTKLRRK2RAB9A
SCHEMBL12085463 0.63 CCNT1 (0.59) JAK3BTKMERTKSYK
SCHEMBL17262818 0.62 JAK3 (0.56) JAK3BTKMERTK
SCHEMBL12085409 0.60 JAK3 (0.57) JAK3BTKSYK
SCHEMBL11113546 0.59 KEAP1 (0.52) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL12085351 0.57 PAK4 (0.58) JAK3BTKPTK2SYK
SCHEMBL12085310 0.57 JAK3 (0.55) JAK3BTKTYRO3MERTKLRRK2

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-103224497-A Inhibitors of protein kinases PORTOLA PHARM INC 2013-07-31 — — CN disclosed
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