SCHEMBL27699760

SCHEMBL27699760

O=C(Nc1cnc(Cl)c(NC(=O)c2ccccc2)c1)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 0.53
KCNQ2 O43526 5/20 0.53
KCNE1 P15382 4/20 0.53
KCNQ1 P51787 4/20 0.53
KCNQ5 Q9NR82 2/20 0.53
P2RX1 P51575 1/20 0.52
PIK3CA P42336 1/20 0.51
NNMT P40261 1/20 0.49
CSF1R P07333 1/20 0.48
AURKA O14965 1/20 0.48
KCNK3 O14649 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
VNN1 O95497 1/20 0.47
LMNA P02545 1/20 0.47
RHOC P08134 1/20 0.47
RHOA P61586 1/20 0.47
BRAF P15056 1/20 0.46
GAA P10253 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL27720378 0.87 PIK3CA (0.55) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL27720385 0.84 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
Cyclopropane SCHEMBL27699785 0.81 KCNQ3 (0.62) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL7745683 0.76 P2RX1 (0.82) P2RX1KCNK3NPC1RAB9ALMNA
SCHEMBL27720419 0.75 KMT2A (0.64) KCNQ3KCNQ2KCNK3NPC1RAB9A
SCHEMBL27720433 0.75 MEN1 (0.64) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL31152871 0.74 NNMT (0.52) PIK3CANNMTCSF1RAURKAVNN1
SCHEMBL27699773 0.74 KCNK9 (0.61) KCNQ3KCNQ2KCNE1KCNQ1CSF1R
SCHEMBL3933821 0.74 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL27720425 0.73 KCNQ3 (0.66) KCNQ3KCNQ2KCNK3NPC1RAB9A

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
CN-101128454-A Pyridine carboxamide derivatives for use as anticancer agents ASTRAZENECA AB (SE) 2008-02-20 CN disclosed