SCHEMBL7019057

SCHEMBL7019057

COc1ccc(-c2cn(C3CCN(CCNCCO)C3)c3ncnc(N)c23)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.64
ABL1 P00519 7/20 0.64
EGFR P00533 7/20 0.64
ABL2 P42684 7/20 0.64
LCK P06239 2/20 0.64
RIPK2 O43353 8/20 0.60
BTK Q06187 2/20 0.56

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
SCHEMBL7015214 0.91 ABL1 (0.79) SRCABL1EGFRABL2LCK
SCHEMBL7016556 0.90 SRC (0.61) SRCABL1EGFRABL2LCK
SCHEMBL7017495 0.89 SRC (0.61) SRCABL1EGFRABL2LCK
SCHEMBL8108644 0.87 SRC (0.67) SRCABL1EGFRABL2LCK
SCHEMBL7019630 0.86 SRC (0.81) SRCABL1EGFRABL2LCK
SCHEMBL8098888 0.85 SRC (0.65) SRCABL1EGFRABL2LCK
SCHEMBL7021099 0.84 ABL1 (0.75) SRCABL1EGFRABL2LCK
SCHEMBL7015260 0.82 SRC (0.60) SRCABL1EGFRABL2LCK
SCHEMBL8112551 0.81 SRC (0.73) SRCABL1EGFRABL2LCK
SCHEMBL8108575 0.81 SRC (0.71) SRCABL1EGFRABL2LCK

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
EP-0888353-B1 N-7-HETEROCYCLYL PYRROLO [2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2003-07-09 EP claimed
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
EP-0888353-B1 N-7-HETEROCYCLYL PYRROLO [2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2003-07-09 EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed