SCHEMBL8099110

SCHEMBL8099110

Nc1ncnc2c1c(-c1ccc(O)cc1)cn2C1CCN(CCO)C1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 13/20 0.71
▸ ABL1 P00519 8/20 0.71
▸ EGFR P00533 8/20 0.71
▸ ABL2 P42684 8/20 0.71
▸ LCK P06239 2/20 0.71
▸ RIPK2 O43353 1/20 0.66
▸ HCK P08631 1/20 0.58
▸ BTK Q06187 5/20 0.57

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
SCHEMBL8107249 0.94 SRC (0.80) SRCABL1EGFRABL2LCK
SCHEMBL7023713 0.91 SRC (0.72) SRCABL1EGFRABL2LCK
SCHEMBL7016556 0.91 SRC (0.61) SRCABL1EGFRABL2LCK
SCHEMBL8098913 0.90 SRC (0.63) SRCABL1EGFRABL2LCK
SCHEMBL8108098 0.89 SRC (0.62) SRCABL1EGFRABL2LCK
SCHEMBL7023786 0.89 ABL1 (0.89) SRCABL1EGFRABL2LCK
SCHEMBL7017737 0.86 SRC (0.58) SRCABL1EGFRABL2LCK
SCHEMBL8108273 0.85 SRC (0.70) SRCABL1EGFRABL2LCK
SCHEMBL7020164 0.84 SRC (0.81) SRCABL1EGFRABL2LCK
SCHEMBL7017312 0.84 SRC (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051577-A TYROSINE INHIBITORS; BONE DISORDERS NOVARTIS AG (CH) 2000-04-18 — — US disclosed
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