SCHEMBL5754591

SCHEMBL5754591

CC(Cc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)CC1(c2ccc(C(F)(F)F)cc2)NCC(C)(C)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 2/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CFTR P13569 1/20 0.35
P2RX3 P56373 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5756600 0.93 KIF11 (0.41) KIF11TDP1ALDH1A1POLBCYP3A4
SCHEMBL5755201 0.92 KIF11 (0.40) KIF11TDP1ALDH1A1POLBCYP3A4
SCHEMBL5756160 0.90 KIF11 (0.43) KIF11TDP1ALDH1A1POLBCYP3A4
SCHEMBL5755734 0.89 PDE10A (0.40) KIF11TDP1ALDH1A1POLBCYP3A4
SCHEMBL5753980 0.89 KIF11 (0.39) KIF11TDP1ALDH1A1POLBCYP3A4
SCHEMBL5752111 0.89 KIF11 (0.40) KIF11TDP1ALDH1A1POLBCYP3A4
SCHEMBL5753650 0.88 KIF11 (0.46) KIF11TDP1ALDH1A1POLBCYP3A4
SCHEMBL5754399 0.88 KIF11 (0.40) KIF11TDP1ALDH1A1POLBCYP3A4
SCHEMBL5754211 0.87 KMT2A (0.39) KIF11TDP1ALDH1A1POLBCYP3A4
SCHEMBL5757282 0.87 KIF11 (0.42) KIF11TDP1ALDH1A1POLBCYP3A4

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-1553931-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-08-30 EP disclosed
EP-1553931-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-20 EP disclosed
WO-2003097053-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-11-27 WO disclosed