SCHEMBL7112685

SCHEMBL7112685

Nc1nccc2c1c(-c1ccc(NCc3c(F)cccc3Cl)cc1)nn2C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
MPI P34949 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IGF1R P08069 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MAP4K3 Q8IVH8 1/20 0.39
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
EGFR P00533 7/20 0.37
SRC P12931 6/20 0.37
KDR P35968 4/20 0.37
ABL1 P00519 4/20 0.37
PIK3CD O00329 3/20 0.37
HCK P08631 3/20 0.37
PIK3CA P42336 3/20 0.37

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
SCHEMBL4822032 0.88 IGF1R (0.52) IGF1REGFRSRCKDRABL1
SCHEMBL5819727 0.82 NTRK1 (0.44) MAP4K3CCNT1CDK9EGFRSRC
SCHEMBL5817387 0.80 LCK (0.46) MAP4K3CCNT1CDK9EGFRSRC
SCHEMBL6247706 0.80 SRC (0.44) KDM4EMEN1ALDH1A1MAPTMAPK1
SCHEMBL6245151 0.77 EGFR (0.44) IGF1RMAP4K3EGFRSRCKDR
SCHEMBL5822805 0.77 SRC (0.40) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL5812688 0.77 EGFR (0.44) IGF1RMAP4K3EGFRSRCKDR
SCHEMBL6248834 0.76 SRC (0.43) IGF1RMAP4K3EGFRSRCKDR
SCHEMBL29987502 0.75 EIF2AK3 (0.46) KDM4EALDH1A1MAPTIGF1RMAP4K3
SCHEMBL28881310 0.75 EIF2AK3 (0.46) KDM4EALDH1A1MAPTIGF1RMAP4K3

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
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed