SCHEMBL18544271

SCHEMBL18544271

COc1ccc2nccc(I)c2n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
MAP4K4 O95819 1/20 0.39
KCNH2 Q12809 5/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE10A Q9Y233 2/20 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
SCHEMBL1723539 0.81 PDE10A (0.39) EGFRMAP4K4KCNH2MEN1KMT2A
SCHEMBL23084868 0.81 KCNH2 (0.44) EGFRMAP4K4KCNH2MEN1KMT2A
SCHEMBL29692873 0.80 EGFR (0.38) EGFRMAP4K4KCNH2MEN1KMT2A
SCHEMBL592797 0.80 EGFR (0.44) EGFRMAP4K4KCNH2MEN1KMT2A
SCHEMBL29514474 0.80 EGFR (0.44) EGFRMAP4K4KCNH2MEN1KMT2A
SCHEMBL590199 0.80 MAP4K4 (0.44) EGFRMAP4K4KCNH2MEN1KMT2A
SCHEMBL592329 0.80 EGFR (0.38) EGFRMAP4K4KCNH2MEN1KMT2A
SCHEMBL29692936 0.80 PDE2A (0.39) EGFRMAP4K4KCNH2MEN1KMT2A
SCHEMBL590921 0.80 PDE2A (0.39) EGFRMAP4K4KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL3578561 0.79 MAP4K4 (0.43) EGFRMAP4K4KCNH2MEN1KMT2A

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
WO-2022058920-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-03-24 WO disclosed
WO-2017029602-A2 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-02-23 WO disclosed