SCHEMBL5801411

SCHEMBL5801411

CN1CCN(C2CCC(n3nc(-c4ccc([C@@H](NC(=O)NCc5ccccc5)c5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.65
SRC P12931 12/20 0.65
TEK Q02763 12/20 0.65
KDR P35968 6/20 0.63
BTK Q06187 5/20 0.60
NUDT14 O95848 1/20 0.59
NUDT5 Q9UKK9 1/20 0.59
LIMK1 P53667 1/20 0.58
LIMK2 P53671 1/20 0.58
EGFR P00533 7/20 0.55
ERBB2 P04626 1/20 0.53
IGF1R P08069 1/20 0.53
ERBB3 P21860 1/20 0.53
ERBB4 Q15303 1/20 0.53

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
SCHEMBL5801412 1.00 LCK (0.65) LCKSRCTEKKDRBTK
SCHEMBL6884880 1.00 LCK (0.65) LCKSRCTEKKDRBTK
Acetic Acid SCHEMBL6431923 0.99 LCK (0.64) LCKSRCTEKKDRBTK
Acetic Acid SCHEMBL6431918 0.99 LCK (0.64) LCKSRCTEKKDRBTK
SCHEMBL7001945 0.89 SRC (0.73) LCKSRCTEKKDRBTK
SCHEMBL6431748 0.89 SRC (0.72) LCKSRCTEKKDRBTK
SCHEMBL6431750 0.89 SRC (0.72) LCKSRCTEKKDRBTK
SCHEMBL6431693 0.87 SRC (0.75) LCKSRCTEKKDRBTK
SCHEMBL6431699 0.87 SRC (0.75) LCKSRCTEKKDRBTK
SCHEMBL6623451 0.87 LCK (0.77) LCKSRCTEKKDRBTK

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-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed