SCHEMBL6247706

SCHEMBL6247706

Nc1nccc2c1c(-c1ccc(NCc3ccco3)cc1)nn2C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.44
LCK P06239 3/20 0.44
TEK Q02763 3/20 0.44
KDR P35968 5/20 0.39
MERTK Q12866 1/20 0.38
MAP4K3 Q8IVH8 1/20 0.36
SHMT2 P34897 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
RET P07949 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
PKM P14618 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ABL1 P00519 4/20 0.35
MAPT P10636 3/20 0.35

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
SCHEMBL4826841 0.88 SRC (0.57) SRCLCKTEKKDRRET
SCHEMBL5819727 0.86 NTRK1 (0.44) SRCLCKTEKKDRMAP4K3
SCHEMBL6248834 0.85 SRC (0.43) SRCLCKTEKKDRMAP4K3
SCHEMBL5822805 0.82 SRC (0.40) SRCLCKTEKKDRMAP4K3
SCHEMBL6245151 0.81 EGFR (0.44) SRCLCKTEKKDRMAP4K3
SCHEMBL5812688 0.80 EGFR (0.44) SRCLCKTEKKDRMAP4K3
SCHEMBL7112685 0.80 KDM4E (0.41) SRCLCKTEKKDRMAP4K3
SCHEMBL5817387 0.77 LCK (0.46) SRCLCKTEKKDRMAP4K3
SCHEMBL5817678 0.75 BTK (0.59) SRCLCKTEKKDRABL1
SCHEMBL6431050 0.74 LCK (0.77) SRCLCKTEKKDREGFR

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-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 WO disclosed