SCHEMBL6839009

SCHEMBL6839009

C1CN2CCC12.CCOc1ccc(NC=C2C(=O)Nc3cccc(C)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.39
PDGFRB P09619 2/20 0.39
ERBB2 P04626 2/20 0.39
IGF1R P08069 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
AGTR1 P30556 1/20 0.38
PDPK1 O15530 1/20 0.38
KDR P35968 1/20 0.38
MAPT P10636 7/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 3/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL6846586 0.96 RET (0.38) RETPDGFRBERBB2IGF1RMEN1
SCHEMBL4992291 0.90 KDR (0.44) RETPDGFRBERBB2IGF1RMEN1
SCHEMBL4992299 0.90 KDR (0.44) RETPDGFRBERBB2IGF1RMEN1
SCHEMBL4987664 0.80 MAOA (0.42) RETPDGFRBERBB2IGF1RMEN1
SCHEMBL4987670 0.80 MAOA (0.42) RETPDGFRBERBB2IGF1RMEN1
SCHEMBL4995302 0.80 SRC (0.47) RETPDGFRBKDR
SCHEMBL4995298 0.80 SRC (0.47) RETPDGFRBKDR
SCHEMBL4996685 0.79 DRD2 (0.38) RETPDGFRBERBB2IGF1RKDR
SCHEMBL4996688 0.79 DRD2 (0.38) RETPDGFRBERBB2IGF1RKDR
SCHEMBL4993056 0.79 SRC (0.46) RETPDGFRBKDR

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
US-6765012-B2 FOR MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION ALLERGAN, INC. 2004-07-20 US claimed