SCHEMBL16299554

SCHEMBL16299554

CCOC(=O)N1CCc2c([nH]c3ccc(CI)cc23)C1c1cnc(NC)nc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.45
TP53 P04637 5/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL8403151 0.88 KIF11 (0.51) KIF11TP53MAPTKDM4EMEN1
SCHEMBL8403147 0.88 KIF11 (0.49) KIF11TP53MAPTLMNA
SCHEMBL764960 0.80 KIF11 (0.50) KIF11TP53MAPTKDM4EMEN1
SCHEMBL763547 0.78 KIF11 (0.57) KIF11TP53MAPTMEN1KMT2A
SCHEMBL11912840 0.77 KIF11 (0.54) KIF11TP53MAPTMEN1KMT2A
SCHEMBL16314520 0.77 LMNA (0.44) KIF11TP53MAPTKDM4EMEN1
SCHEMBL764160 0.76 KIF11 (0.49) KIF11TP53MAPTKDM4EMEN1
SCHEMBL764697 0.76 KIF11 (0.49) KIF11TP53MAPTLMNA
SCHEMBL8403135 0.76 KIF11 (0.51) KIF11TP53MAPTKDM4EMEN1
SCHEMBL8404381 0.76 KIF11 (0.47) KIF11TP53MAPT

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-1871375-B1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PTC THERAPEUTICS INC (US) 2012-02-29 EP disclosed