SCHEMBL4595305

SCHEMBL4595305

COc1ccccc1-c1cnn2ccc(N(C)C3=COCO3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.43
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
JAK2 O60674 4/20 0.38
SMPD3 Q9NY59 2/20 0.37
JAK3 P52333 3/20 0.35
LMNA P02545 2/20 0.33
PTK2 Q05397 2/20 0.33
POLB P06746 1/20 0.33
MTOR P42345 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4333739 0.80 RET (0.43) FYNMEN1KMT2ANPC1RAB9A
SCHEMBL4333742 0.79 FYN (0.45) FYNMEN1KMT2ANPC1RAB9A
SCHEMBL4595306 0.74 FYN (0.63) FYNMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4335186 0.70 RET (0.42) FYNMEN1KMT2ANPC1RAB9A
SCHEMBL20081017 0.69 FYN (0.64) FYNMEN1KMT2ANPC1RAB9A
SCHEMBL4335188 0.69 FYN (0.35) FYNMEN1KMT2ARET
SCHEMBL4339355 0.68 CETP (0.37) FYNMEN1KMT2ANPC1RAB9A
SCHEMBL4339353 0.67 RET (0.40) FYNMAPTSMN1; SMN2SMPD3LMNA
SCHEMBL4331236 0.67 PIM1 (0.64) FYNMEN1KMT2ATGFBR2RET
SCHEMBL4344874 0.66 FYN (0.61) FYNMEN1KMT2ANPC1RAB9A

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