SCHEMBL15048633

SCHEMBL15048633

Cn1cnc(-c2ccc3cnc(N(c4ccc(N5CCOCC5)cc4)N(c4ccc(N5CCOCC5)cc4)c4ncc5ccc(-c6cn(C)cn6)n5n4)nn23)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
INSR P06213 10/20 0.45
JAK2 O60674 6/20 0.43
ALK Q9UM73 11/20 0.39
NPM1 P06748 4/20 0.39
CYP3A4 P08684 2/20 0.35
MAPK10 P53779 2/20 0.33
SYK P43405 2/20 0.33

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
SCHEMBL15048644 0.92 ALK (0.46) INSRJAK2ALKNPM1CYP3A4
SCHEMBL521763 0.80 INSR (0.69) INSRJAK2ALKNPM1CYP3A4
SCHEMBL15048631 0.79 INSR (0.44) INSRJAK2ALKNPM1MAPK10
SCHEMBL3478153 0.78 JAK2 (0.46) INSRJAK2ALKNPM1CYP3A4
SCHEMBL3477297 0.77 JAK2 (0.46) INSRJAK2ALKNPM1CYP3A4
SCHEMBL3478509 0.76 JAK2 (0.46) INSRJAK2ALKNPM1CYP3A4
SCHEMBL3478601 0.76 JAK2 (0.48) INSRJAK2ALKNPM1CYP3A4
SCHEMBL521250 0.72 ALK (0.71) INSRJAK2ALKNPM1CYP3A4
SCHEMBL15048648 0.71 ALK (0.46) INSRJAK2ALKNPM1CYP3A4
SCHEMBL15048651 0.71 ALK (0.50) INSRJAK2ALKNPM1CYP3A4

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