SCHEMBL19018409

SCHEMBL19018409

CNc1cc(F)cc(-c2ccc3c(c2)OCCC3)c1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.35
▸ CD274 Q9NZQ7 3/20 0.34
▸ NOTUM Q6P988 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ PIR O00625 1/20 0.32
▸ HSF1 Q00613 1/20 0.32
▸ ALK Q9UM73 1/20 0.31
▸ PDCD1 Q15116 1/20 0.31

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
SCHEMBL22681857 0.78 KDM4C (0.41) KCNH2CD274ALK
SCHEMBL22681561 0.74 CD274 (0.47) KCNH2CD274PDCD1
SCHEMBL22681650 0.73 PRKAB2 (0.43) KCNH2ALK
SCHEMBL22681887 0.72 BACE1 (0.51) KCNH2ALK
SCHEMBL15839864 0.72 NPC1 (0.40) KCNH2NOTUMALK
SCHEMBL22681889 0.71 CD274 (0.42) KCNH2CD274PDCD1
SCHEMBL17378737 0.70 CTNNB1 (0.45) KCNH2ALK
SCHEMBL22681770 0.70 KCNH2 (0.48) KCNH2NOTUM
SCHEMBL15839863 0.69 TAAR1 (0.42) KCNH2
SCHEMBL3644639 0.69 FABP6 (0.41) KCNH2ALK

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-2017106634-A1 N-PHENYL-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION MODULATORS INCYTE CORPORATION (US) 2017-06-22 — — WO disclosed
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