SCHEMBL11005160

SCHEMBL11005160

Cc1nc2c(N(C)c3ccccc3)nccn2c1CC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 7/20 0.51
ATP4B P51164 7/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
MAPK1 P28482 2/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CSNK1E P49674 1/20 0.36
MAP2K1 Q02750 1/20 0.32
MAPT P10636 1/20 0.32
EGFR P00533 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
SCHEMBL11005977 0.74 ATP4A (0.52) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL10531597 0.74 ATP4A (0.69) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL11005972 0.74 ATP4A (0.52) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL11005164 0.73 ATP4A (0.56) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL11101506 0.72 ATP4A (0.40) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL11007610 0.72 ATP4A (0.71) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL11007608 0.72 ATP4A (0.71) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL12575109 0.71 EGFR (0.38) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL10690155 0.69 ATP4A (0.55) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL2021303 0.68 CSNK1E (0.41) ATP4AATP4BMEN1KMT2ACYP1A2

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
US-4507294-A TREATMENT OF PEPTIC ULCERS SCHERING CORP. (US) 1985-03-26 US disclosed