SCHEMBL22056937

SCHEMBL22056937

CC1(C)c2cc(C#N)ccc2-c2c(-c3ccc(-c4ccc5ccccc5c4-c4ccc(C5N=C(c6ccccc6)N=C(c6ccccc6)N5)cc4)cc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ F10 P00742 1/20 0.31
▸ F11 P03951 1/20 0.31
▸ F7 P08709 1/20 0.31
▸ STK10 O94804 1/20 0.31
▸ SLK Q9H2G2 1/20 0.31
▸ SLC22A12 Q96S37 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
SCHEMBL21160288 0.98 ALK (0.33) ALKNPC1RAB9AF10F11
SCHEMBL21159945 0.98 NPC1 (0.33) ALKNPC1RAB9AF10F11
SCHEMBL21159664 0.94 NPC1 (0.35) ALKNPC1RAB9AF10F11
SCHEMBL21160269 0.93 NPC1 (0.35) ALKNPC1RAB9AF10F11
SCHEMBL22056938 0.92 ALK (0.34) ALKNPC1RAB9AF10F11
SCHEMBL22056447 0.92 NPC1 (0.34) ALKNPC1RAB9AF10F11
SCHEMBL21159941 0.91 ALK (0.33) ALKNPC1RAB9AF10F11
SCHEMBL22056456 0.91 ALK (0.33) ALKNPC1RAB9AF10F11
SCHEMBL21159974 0.91 ALK (0.35) ALKNPC1RAB9AF10F11
SCHEMBL21160365 0.91 ALK (0.34) ALKNPC1RAB9AF10F11

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
EP-3498804-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-06-03 — — EP disclosed
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