SCHEMBL16250487

SCHEMBL16250487

Oc1cccc(Nc2cc(I)ncn2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
MAPT P10636 1/20 0.62
HDAC6 Q9UBN7 1/20 0.57
SYK P43405 3/20 0.51
GLA P06280 1/20 0.49
HTT P42858 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
EGFR P00533 4/20 0.47
TTBK1 Q5TCY1 3/20 0.47
TTBK2 Q6IQ55 1/20 0.47
RAF1 P04049 3/20 0.45
BRAF P15056 3/20 0.45
RET P07949 2/20 0.43
DYRK3 O43781 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
CDK1 P06493 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43

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
SCHEMBL1319475 0.88 TP53 (0.71) TP53MAPTHDAC6SYKGLA
SCHEMBL657571 0.81 TP53 (0.62) TP53MAPTHDAC6SYKGLA
SCHEMBL2389236 0.81 MEN1 (0.56) MAPTHTTEGFRABCG2
SCHEMBL7771269 0.79 EGFR (0.66) TP53MAPTHDAC6SYKGLA
SCHEMBL21704805 0.77 TP53 (1.00) TP53MAPTHDAC6SYKCYP3A4
SCHEMBL658048 0.75 SYK (0.60) TP53MAPTHDAC6SYKGLA
SCHEMBL1317961 0.73 HDAC6 (1.00) TP53MAPTHDAC6SYKGLA
SCHEMBL1389429 0.72 CYP3A4 (0.86) MAPTHDAC6SYKGLAHTT
SCHEMBL30026816 0.72 CYP3A4 (0.86) MAPTHDAC6SYKGLAHTT
SCHEMBL12517646 0.72 TNNI3K (0.85) EGFR

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
WO-2014183300-A1 VEGFR TYROSINE KINASE INHIBITORS SUZHOU VIVOTIDE BIOTECHNOLOGIES CO., LTD. (CN) 2014-11-20 WO disclosed