SCHEMBL16743292

SCHEMBL16743292

Cc1cc(Nc2nc(N[C@H](CC3CC3)C(N)=O)nnc2C(N)=O)sn1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 3/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ BTK Q06187 3/20 0.42
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ SYK P43405 14/20 0.40
▸ AURKB Q96GD4 1/20 0.40

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
SCHEMBL16743337 0.87 LCK (0.42) LCKJAK3BTKIRAK4SYK
SCHEMBL14955909 0.84 BTK (0.42) LCKJAK3BTKIRAK4SYK
SCHEMBL14956216 0.84 BTK (0.53) LCKJAK3BTKIRAK4SYK
SCHEMBL14955908 0.84 BTK (0.42) LCKJAK3BTKIRAK4SYK
SCHEMBL14956218 0.84 BTK (0.53) LCKJAK3BTKIRAK4SYK
SCHEMBL2728928 0.81 BTK (0.39) LCKJAK3BTKIRAK4SYK
SCHEMBL2728921 0.81 BTK (0.39) LCKJAK3BTKIRAK4SYK
SCHEMBL16743355 0.81 SYK (0.43) LCKJAK3BTKSYKAURKB
SCHEMBL14955647 0.80 BTK (0.55) LCKJAK3BTKIRAK4SYK
SCHEMBL14955649 0.80 BTK (0.55) LCKJAK3BTKIRAK4SYK

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
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 — — US disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 — — US disclosed
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