SCHEMBL27851859

SCHEMBL27851859

CN(c1ccncc1)c1cnc2cc(-c3cn[nH]c3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ ROCK2 O75116 7/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ ROCK1 Q13464 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ GAK O14976 1/20 0.36
▸ FGFR1 P11362 2/20 0.35
▸ FGFR2 P21802 2/20 0.35
▸ FGFR4 P22455 2/20 0.35
▸ FGFR3 P22607 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL27868815 0.87 SYK (0.40) PIM1PIM3PIM2ROCK2ACVR1
SCHEMBL27868807 0.83 PIM1 (0.38) PIM1PIM3PIM2ROCK2ACVR1
SCHEMBL781536 0.83 ROCK2 (0.40) PIM1PIM3PIM2ROCK2ACVR1
Hydrochloric Acid SCHEMBL16162193 0.82 FGFR1 (0.40) PIM1PIM3PIM2ROCK2ALK
SCHEMBL780100 0.74 PIK3CA (0.46) ROCK2ROCK1MAPTSMN1; SMN2
SCHEMBL16168342 0.74 PIM1 (0.52) PIM1PIM3PIM2ROCK2ACVR1
SCHEMBL780600 0.74 ROCK2 (0.42) PIM1PIM3PIM2ROCK2ROCK1
SCHEMBL20572016 0.74 ROCK2 (0.42) PIM1PIM3PIM2ROCK2ROCK1
Hydrochloric Acid SCHEMBL781422 0.74 PIK3CA (0.45) ROCK2ROCK1FGFR1FGFR2FGFR3
SCHEMBL782016 0.74 ROCK2 (0.42) PIM1PIM3PIM2ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459234-B Substituted benzotriazines and quinoxalines as P70S6 kinase inhibitors SENTINEL ONCOLOGY LTD. (GB) 2014-10-15 — — CN claimed
CN-102459234-A Substituted benzotriazines and quinoxalines as P70S6 kinase inhibitors SENTINEL ONCOLOGY LTD 2012-05-16 — — CN claimed
CN-102459234-B Substituted benzotriazines and quinoxalines as P70S6 kinase inhibitors SENTINEL ONCOLOGY LTD. (GB) 2014-10-15 — — CN disclosed
CN-102459234-A Substituted benzotriazines and quinoxalines as P70S6 kinase inhibitors SENTINEL ONCOLOGY LTD 2012-05-16 — — CN disclosed
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