SCHEMBL3409733

SCHEMBL3409733

COc1cc(Nc2nccc(C(C)(C)O)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.41
CCNT1 O60563 2/20 0.41
RET P07949 1/20 0.40
SYK P43405 5/20 0.39
IGF1R P08069 5/20 0.39
AURKA O14965 3/20 0.39
AURKB Q96GD4 3/20 0.39
KDR P35968 4/20 0.38
BRD4 O60885 1/20 0.38
CDK1 P06493 3/20 0.38
CDK2 P24941 3/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
ROCK2 O75116 1/20 0.38
CHEK2 O96017 1/20 0.38
CSF1R P07333 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 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
SCHEMBL3412646 0.92 SYK (0.46) CDK9CCNT1RETSYKIGF1R
SCHEMBL3410492 0.89 SYK (0.40) CDK9CCNT1RETSYKIGF1R
SCHEMBL3406878 0.89 SYK (0.50) SYK
SCHEMBL3408862 0.88 NPC1 (0.43) BRD4
SCHEMBL3412887 0.88 IGF1R (0.38) CDK9CCNT1RETSYKIGF1R
SCHEMBL3407056 0.88 CCNT1 (0.42) CDK9CCNT1RETSYKIGF1R
SCHEMBL3410560 0.87 NPC1 (0.37) KDRCDK1CDK2PLK1
SCHEMBL3408509 0.84 CDK9 (0.40) CDK9CCNT1RETSYKIGF1R
SCHEMBL3410112 0.84 PSEN1 (0.36) KDRCDK1CDK2PLK1
SCHEMBL3405288 0.84 KDR (0.41) KDRBRD4CDK1CDK2PLK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed