SCHEMBL3932029

SCHEMBL3932029

CCCOc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.79
TSHR P16473 1/20 0.79
CSF1R P07333 11/20 0.77
MAPT P10636 2/20 0.64
BRAF P15056 2/20 0.63
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NR1H4 Q96RI1 1/20 0.59

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
SCHEMBL4165366 0.90 MAPK1 (0.81) MAPK1TSHRCSF1RBRAFNPC1
SCHEMBL3941916 0.89 MAPK1 (0.79) MAPK1TSHRCSF1RMAPTBRAF
SCHEMBL3934096 0.88 BRAF (0.81) MAPK1TSHRCSF1RMAPTBRAF
SCHEMBL3936904 0.87 CSF1R (1.00) TSHRCSF1RBRAFRAB9AALDH1A1
SCHEMBL3936515 0.86 CSF1R (0.83) CSF1RBRAFNPC1RAB9AALDH1A1
SCHEMBL3934792 0.82 CSF1R (0.70) TSHRCSF1RMAPTBRAFNPC1
SCHEMBL3941840 0.82 CSF1R (1.00) CSF1RBRAFNPC1
SCHEMBL3930070 0.82 CSF1R (1.00) CSF1RMAPTBRAFNPC1RAB9A
SCHEMBL1276793 0.82 CSF1R (1.00) CSF1RBRAFMEN1KMT2A
SCHEMBL3938361 0.81 CSF1R (0.84) TSHRCSF1RBRAFRAB9AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
CN-101128454-A Pyridine carboxamide derivatives for use as anticancer agents ASTRAZENECA AB (SE) 2008-02-20 CN disclosed