SCHEMBL5712010

SCHEMBL5712010

COc1cccc(C(=O)Nc2ccc(C)c(Nc3ncc(-c4ccncc4)o3)c2)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ABL1 P00519 1/20 0.53
PDGFRB P09619 1/20 0.53
BCR P11274 1/20 0.53
PDGFRA P16234 1/20 0.53
PRKCA P17252 1/20 0.53
POLB P06746 2/20 0.49
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
TP53 P04637 4/20 0.47
LCLAT1 Q6UWP7 1/20 0.46
FLT1 P17948 3/20 0.45
FLT4 P35916 3/20 0.45
KDR P35968 3/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL544093 0.81 MEN1 (0.50) MEN1KMT2AABL1PDGFRBBCR
SCHEMBL544201 0.81 RAB9A (0.48) ABL1PDGFRBBCRPDGFRAPRKCA
SCHEMBL543623 0.79 BRAF (0.54) MEN1KMT2AABL1PDGFRBBCR
SCHEMBL544504 0.78 ABL1 (0.58) ABL1PDGFRBBCRPDGFRAPRKCA
SCHEMBL13380736 0.76 KIT (0.43) MEN1KMT2AABL1PDGFRBBCR
SCHEMBL544627 0.76 ROCK2 (0.47) MEN1KMT2APOLBSMN1; SMN2TP53
SCHEMBL3299706 0.76 SMN1; SMN2 (0.51) MEN1KMT2AABL1PDGFRBBCR
SCHEMBL544048 0.76 MAPK14 (0.46) ABL1PDGFRBBCRPDGFRAPRKCA
SCHEMBL544655 0.75 KCNQ3 (0.47) ABL1PDGFRBBCRPDGFRAPOLB
SCHEMBL543692 0.75 ROCK2 (0.46) MEN1KMT2AABL1BCRPDGFRA

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-1684750-A2 2-AMINOARYLOXAZOLE COMPOUNDS AS TYROSINE KINASE INHIBITORS AB Science (FR) 2006-08-02 EP disclosed
WO-2005040139-A2 2-AMINOARYLOXAZOLE COMPOUNDS AS TYROSINE KINASE INHIBITORS AB SCIENCE (FR) 2005-05-06 WO disclosed