SCHEMBL13893893

SCHEMBL13893893

Cc1ccc(C(=O)Nc2cccc(-c3cc(Nc4ccccn4)c(=O)[nH]n3)c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.48
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
NTRK1 P04629 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
ATM Q13315 1/20 0.41
PARP1 P09874 1/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL13894015 0.90 BTK (0.46) BTKMAPTTP53NTRK1NPC1
SCHEMBL13893894 0.89 BTK (0.45) BTKMAPTTP53NTRK1NPC1
SCHEMBL13894017 0.82 LMNA (0.43) BTKMAPTTP53NTRK1NPC1
SCHEMBL13894045 0.82 RAB9A (0.45) BTKMAPTTP53NTRK1NPC1
SCHEMBL13893892 0.81 BTK (0.52) BTKHPGD
SCHEMBL13893891 0.80 BTK (0.61) BTKRAB9A
SCHEMBL13894043 0.80 BTK (0.49) BTKRAB9AHPGD
SCHEMBL13894048 0.78 CCNE1 (0.49) BTKMAPTTP53
SCHEMBL13894041 0.77 BTK (0.54) BTKMAPT
SCHEMBL13893948 0.77 BTK (0.51) BTK

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
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed