SCHEMBL2310280

SCHEMBL2310280

CN1CCN(C(=O)c2ccc3[nH]c(-c4cccc5c4-c4ccccc4[C@H]5C(N)=O)nc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.50
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
BTK Q06187 10/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
JAK2 O60674 2/20 0.42
AURKA O14965 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
KIT P10721 1/20 0.42
CDK2 P24941 1/20 0.42
TYK2 P29597 1/20 0.42
TEC P42680 1/20 0.42
TXK P42681 1/20 0.42
BMX P51813 1/20 0.42

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
SCHEMBL2312012 0.83 HSP90AB1 (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2315193 0.82 CDK1 (0.46) CDK2ATR
SCHEMBL2311699 0.82 HSP90AB1 (0.45) AURKA
SCHEMBL2314905 0.82 SMN1; SMN2 (0.46) ALDH1A1MAPTHPGD
SCHEMBL22955477 0.80 KDR (0.55) KDRPDGFRBFGFR1BTKALDH1A1
SCHEMBL2311056 0.79 ATR (0.48) ALDH1A1MAPTMEN1KMT2AATR
SCHEMBL2314500 0.79 HSP90AB1 (0.43) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2314109 0.78 HSP90AB1 (0.43) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2311956 0.78 RAB9A (0.54) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL20765466 0.77 ALDH1A1 (0.64) KDRPDGFRBFGFR1ALDH1A1MAPT

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-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 EP disclosed
EP-1888579-A2 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF Aventis Pharma S.A. (FR) 2008-02-20 EP disclosed
WO-2006123061-A2 FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-11-23 WO disclosed