SCHEMBL6623451

SCHEMBL6623451

CN1CCN(C2CCC(n3nc(-c4ccc(Oc5ccc(CNC(=O)NCc6ccccc6)cc5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.77
SRC P12931 10/20 0.77
BTK Q06187 10/20 0.77
TEK Q02763 9/20 0.77
KDR P35968 4/20 0.77
NUDT14 O95848 2/20 0.66
NUDT5 Q9UKK9 2/20 0.66
LIMK1 P53667 1/20 0.62
LIMK2 P53671 1/20 0.62
EGFR P00533 5/20 0.58
ITK Q08881 2/20 0.58
LYN P07948 2/20 0.58
ABL1 P00519 1/20 0.57
ERBB2 P04626 1/20 0.57
FYN P06241 1/20 0.57
YES1 P07947 1/20 0.57
HCK P08631 1/20 0.57
FGR P09769 1/20 0.57
FER P16591 1/20 0.57
CSK P41240 1/20 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
SCHEMBL6623453 1.00 LCK (0.77) LCKSRCBTKTEKKDR
Acetic Acid SCHEMBL6431633 0.98 LCK (0.74) LCKSRCBTKTEKKDR
Acetic Acid SCHEMBL6431629 0.98 LCK (0.74) LCKSRCBTKTEKKDR
Acetic Acid SCHEMBL6430316 0.94 LCK (0.72) LCKSRCBTKTEKKDR
Acetic Acid SCHEMBL6430318 0.94 LCK (0.72) LCKSRCBTKTEKKDR
Acetic Acid SCHEMBL6432590 0.92 LCK (0.72) LCKSRCBTKTEKKDR
Acetic Acid SCHEMBL6432593 0.92 LCK (0.72) LCKSRCBTKTEKKDR
Acetic Acid SCHEMBL6430767 0.91 BTK (0.72) LCKSRCBTKTEKKDR
Acetic Acid SCHEMBL6430777 0.91 BTK (0.72) LCKSRCBTKTEKKDR
SCHEMBL6431635 0.90 LCK (0.68) LCKSRCBTKTEKKDR

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-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed