SCHEMBL13616238

SCHEMBL13616238

COc1ncnc2c1c(I)cn2[S+]([O-])c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ KDR P35968 2/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ADK P55263 1/20 0.31
▸ SRC P12931 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ ABL2 P42684 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL19366442 0.83 ADK (0.33) ADKEGFR
SCHEMBL19366587 0.81 SRC (0.40) ALDH1A1MAPTADKSRC
SCHEMBL18902075 0.68 BRD4 (0.34) —
SCHEMBL2111551 0.65 ALDH1A1 (0.32) ALDH1A1SRCABL1EGFR
SCHEMBL30372731 0.64 LMNA (0.48) ALDH1A1KDRMAPTSRCABL1
SCHEMBL18902127 0.64 JAK2 (0.35) ALDH1A1KDM4EHPGDTSHR
SCHEMBL30372295 0.62 METTL3 (0.34) KDRSRCABL1EGFRABL2
SCHEMBL21170650 0.60 PDE4A (0.38) ALDH1A1MAPTSRC
SCHEMBL20899549 0.59 HTT (0.40) ALDH1A1KDRNPC1RAB9AKDM4E
SCHEMBL18098819 0.59 DYRK1A (0.37) —

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-2009143018-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 — — WO disclosed
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