SCHEMBL6685208

SCHEMBL6685208

COc1cc(-c2nn(C3CCN(C(=O)OCc4ccccc4)CC3)c3cncc(N)c23)ccc1NCc1ccc(C)o1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.44
SRC P12931 10/20 0.44
TEK Q02763 8/20 0.44
KDR P35968 2/20 0.44
LIMK1 P53667 1/20 0.44
LIMK2 P53671 1/20 0.44
GRIN2B Q13224 4/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP3A4 P08684 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.36
KIT P10721 1/20 0.36
FRK P42685 1/20 0.36
PTK6 Q13882 1/20 0.36
STING1 Q86WV6 1/20 0.36

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
SCHEMBL6430375 0.86 LCK (0.61) LCKSRCTEKKDRLIMK1
SCHEMBL5822930 0.74 SRC (0.51) LCKSRCTEKKDRLIMK1
SCHEMBL5823668 0.72 SRC (0.57) LCKSRCTEKKDRLIMK1
SCHEMBL5822928 0.71 SRC (0.65) LCKSRCTEKKDRLIMK1
SCHEMBL5823664 0.69 LCK (0.71) LCKSRCTEKKDRLIMK1
SCHEMBL6692919 0.68 SRC (0.45) LCKSRCTEKKDRLIMK1
SCHEMBL5801721 0.68 LCK (0.66) LCKSRCTEKKDRLIMK1
SCHEMBL5821051 0.68 SRC (0.52) LCKSRCTEKKDRABL1
SCHEMBL5804660 0.67 SRC (0.61) LCKSRCTEKKDRABL1
SCHEMBL6431127 0.66 LCK (0.79) LCKSRCTEKKDRLIMK1

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