Sugi Predict

Sugi Predict / Compounds / SCHEMBL4595307

SCHEMBL4595307

SCHEMBL4595307

COc1ccccc1-c1cnn2ccc(NCC3=CCOO3)nc12

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 3/20 0.63
▸ PIM1 P11309 8/20 0.43
▸ RET P07949 6/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TGFBR2 P37173 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
SCHEMBL4595306 0.83 FYN (0.63) FYNPIM1RETMEN1KMT2A
SCHEMBL4333521 0.79 FYN (0.81) FYNPIM1RETMEN1KMT2A
SCHEMBL4331853 0.77 FYN (0.66) FYNPIM1RETMEN1KMT2A
SCHEMBL30521762 0.77 FYN (1.00) FYNPIM1RETMEN1KMT2A
SCHEMBL4334408 0.77 FYN (1.00) FYNPIM1RETMEN1KMT2A
SCHEMBL4333737 0.77 RET (0.65) FYNRETMEN1KMT2A
SCHEMBL20081017 0.77 FYN (0.64) FYNPIM1MEN1KMT2ATGFBR2
SCHEMBL4331236 0.76 PIM1 (0.64) FYNPIM1RETMEN1KMT2A
SCHEMBL4344874 0.74 FYN (0.61) FYNPIM1MEN1KMT2ATGFBR2
SCHEMBL19466812 0.71 FYN (0.53) FYNPIM1RETMEN1KMT2A

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