SCHEMBL15048631

SCHEMBL15048631

Cc1cc(-c2ccc3cnc(N(c4ccc(N5CCOCC5)cc4)N(c4ccc(N5CCOCC5)cc4)c4ncc5ccc(-c6cnc(F)c(C)c6)n5n4)nn23)cnc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 3/20 0.44
JAK2 O60674 4/20 0.39
ATR Q13535 2/20 0.36
ATRIP Q8WXE1 2/20 0.36
ALK Q9UM73 2/20 0.36
PIK3CA P42336 3/20 0.35
MTOR P42345 2/20 0.35
NPM1 P06748 1/20 0.35
PRKDC P78527 3/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK10 P53779 1/20 0.33
RPS6KA3 P51812 1/20 0.32
RPS6KA2 Q15349 1/20 0.32
RPS6KA1 Q15418 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CB P42338 1/20 0.32
TSHR P16473 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL15048648 0.91 ALK (0.46) INSRJAK2ALKNPM1RPS6KA3
SCHEMBL521023 0.81 INSR (0.69) INSRJAK2ALKNPM1KCNH2
SCHEMBL3477297 0.80 JAK2 (0.46) INSRJAK2ATRATRIPALK
SCHEMBL3478153 0.79 JAK2 (0.46) INSRJAK2ATRATRIPALK
SCHEMBL15048633 0.79 INSR (0.45) INSRJAK2ALKNPM1MAPK10
SCHEMBL15048651 0.74 ALK (0.50) INSRJAK2ALKNPM1
SCHEMBL3478509 0.73 JAK2 (0.46) INSRJAK2ATRATRIPALK
SCHEMBL3478601 0.73 JAK2 (0.48) INSRJAK2ALKPIK3CANPM1
SCHEMBL520948 0.72 ALK (0.71) INSRJAK2ALKNPM1
SCHEMBL3476710 0.71 ALK (0.48) INSRJAK2ALKNPM1

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-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed