SCHEMBL7017312

SCHEMBL7017312

NCCOCCN1CCC(n2cc(-c3ccc(O)cc3)c3c(N)ncnc32)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.65
ABL1 P00519 11/20 0.65
EGFR P00533 11/20 0.65
ABL2 P42684 11/20 0.65
LCK P06239 4/20 0.63
RIPK2 O43353 1/20 0.63
HCK P08631 1/20 0.54

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
SCHEMBL7019209 0.91 SRC (0.66) SRCABL1EGFRABL2LCK
SCHEMBL7015822 0.89 ABL1 (0.77) SRCABL1EGFRABL2LCK
SCHEMBL7017930 0.89 SRC (0.68) SRCABL1EGFRABL2LCK
SCHEMBL8107249 0.87 SRC (0.80) SRCABL1EGFRABL2LCK
SCHEMBL8108098 0.85 SRC (0.62) SRCABL1EGFRABL2LCK
SCHEMBL8108273 0.85 SRC (0.70) SRCABL1EGFRABL2LCK
SCHEMBL8099110 0.84 SRC (0.71) SRCABL1EGFRABL2LCK
SCHEMBL7019170 0.83 EGFR (0.79) SRCABL1EGFRABL2LCK
SCHEMBL8098913 0.82 SRC (0.63) SRCABL1EGFRABL2LCK
SCHEMBL22845296 0.81 HCK (0.80) SRCABL1EGFRLCKHCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888353-B1 N-7-HETEROCYCLYL PYRROLO [2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2003-07-09 EP claimed
EP-0888353-B1 N-7-HETEROCYCLYL PYRROLO [2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2003-07-09 EP disclosed
US-6051577-A TYROSINE INHIBITORS; BONE DISORDERS NOVARTIS AG (CH) 2000-04-18 US disclosed