SCHEMBL4595306

SCHEMBL4595306

COc1ccccc1-c1cnn2ccc(NCC3=COCO3)nc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.63
RET P07949 7/20 0.46
PIM1 P11309 7/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TGFBR2 P37173 1/20 0.39
KDR P35968 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIM2 Q9P1W9 2/20 0.38

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
SCHEMBL4595307 0.83 FYN (0.63) FYNRETPIM1MEN1KMT2A
SCHEMBL4333737 0.80 RET (0.65) FYNRETMEN1KMT2AKDR
SCHEMBL4333521 0.79 FYN (0.81) FYNRETPIM1MEN1KMT2A
SCHEMBL4331853 0.77 FYN (0.66) FYNRETPIM1MEN1KMT2A
SCHEMBL30521762 0.77 FYN (1.00) FYNRETPIM1MEN1KMT2A
SCHEMBL4334408 0.77 FYN (1.00) FYNRETPIM1MEN1KMT2A
SCHEMBL4333742 0.77 FYN (0.45) FYNRETPIM1MEN1KMT2A
SCHEMBL20081017 0.77 FYN (0.64) FYNPIM1MEN1KMT2ATGFBR2
SCHEMBL4331236 0.76 PIM1 (0.64) FYNRETPIM1MEN1KMT2A
SCHEMBL4595305 0.74 FYN (0.43) FYNRETMEN1KMT2ATGFBR2

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
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP disclosed