SCHEMBL7852410

SCHEMBL7852410

COCC1CCCN1.COCC1CCCN1c1ncnc2[nH]ccc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.55
▸ SCN9A Q15858 1/20 0.48
▸ JAK1 P23458 2/20 0.47
▸ JAK2 O60674 1/20 0.45
▸ DOT1L Q8TEK3 2/20 0.44
▸ LCK P06239 1/20 0.44
▸ AKT2 P31751 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ FFAR2 O15552 1/20 0.43
▸ KIT P10721 1/20 0.42
▸ METAP2 P50579 1/20 0.42

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
SCHEMBL3961208 0.91 JAK3 (0.66) JAK3SCN9AJAK1JAK2DOT1L
SCHEMBL28068350 0.77 JAK3 (0.67) JAK3JAK1JAK2DOT1LLCK
SCHEMBL28887147 0.77 JAK3 (0.67) JAK3JAK1JAK2DOT1LLCK
SCHEMBL7842637 0.77 JAK3 (0.54) JAK3JAK1DOT1LLCKAKT2
SCHEMBL6743217 0.76 JAK3 (0.67) JAK3JAK1DOT1LLCKAKT2
SCHEMBL3951466 0.75 JAK3 (0.71) JAK3JAK1JAK2DOT1LLCK
SCHEMBL2018758 0.74 JAK3 (0.43) JAK3SCN9AJAK1JAK2FFAR2
SCHEMBL2018756 0.74 JAK3 (0.43) JAK3SCN9AJAK1JAK2FFAR2
SCHEMBL3959625 0.73 JAK3 (0.68) JAK3JAK1JAK2DOT1LLCK
SCHEMBL29869816 0.73 ROCK2 (0.65) JAK3JAK1JAK2AKT2METAP2

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-1087971-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 — — EP disclosed
WO-1999065909-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 — — WO disclosed
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