SCHEMBL27720442

SCHEMBL27720442

Cc1ncc(NC(=O)c2cccc(C3(C)CC3)c2)cc1NC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.48
BRAF P15056 2/20 0.48
CSF1R P07333 1/20 0.46
KIT P10721 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDR P35968 1/20 0.44
KCNK3 O14649 3/20 0.43
KCNK9 Q9NPC2 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
XBP1 P17861 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
KLF5 Q13887 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
P4HTM Q9NXG6 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
SCHEMBL27720500 0.83 KMT2A (0.64) MEN1KMT2AKDRKCNK3KCNK9
SCHEMBL28772278 0.81 KCNQ3 (0.62) MEN1KMT2AKCNK3KCNK9KDM4E
SCHEMBL27720393 0.81 MEN1 (0.61) MEN1KMT2AKCNK3KCNK9POLB
Cyclopropane SCHEMBL27720374 0.80 MEN1 (0.57) CSF1RKITMEN1KMT2AKCNK3
SCHEMBL27720400 0.79 BRAF (0.51) RAF1BRAFCSF1RKITMEN1
SCHEMBL27699722 0.79 KCNK3 (0.65) MEN1KMT2AKCNK3KCNK9POLB
SCHEMBL27699808 0.76 KCNK9 (0.62) CSF1RMEN1KMT2AKCNK3KCNK9
SCHEMBL27699765 0.75 NR1H4 (0.62) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL27720418 0.74 CSF1R (0.50) BRAFCSF1RKITMEN1KMT2A
SCHEMBL27720417 0.72 MAPT (0.69) MEN1KMT2APOLBKDM4ENPC1

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