SCHEMBL20194158

SCHEMBL20194158

CC(C)N/N=C(\N=N)c1cc(N)cc(OC(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35
▸ F2 P00734 2/20 0.32
▸ PLG P00747 2/20 0.32
▸ PLAU P00749 2/20 0.32
▸ PLAT P00750 2/20 0.32
▸ KLKB1 P03952 2/20 0.32
▸ PRSS1 P07477 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL20194128 0.74 F2 (0.45) F2PLGPRSS1ALDH1A1
SCHEMBL20194161 0.71 PRSS1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL5591859 0.70 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15055311 0.69 USP2 (0.44) F2PLGPLAUPLATKLKB1
SCHEMBL12331974 0.68 PARP10 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10794575 0.68 KMT2A (0.55) ALDH1A1
SCHEMBL14018054 0.68 PARP10 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12332163 0.68 PARP10 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12332078 0.68 F2 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2154535 0.68 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
EP-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 — — EP disclosed
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