SCHEMBL21159942

SCHEMBL21159942

CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc5ccccc5c4C4N=C(c5ccccc5)N=C(c5ccccc5)N4)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.33
▸ PGR P06401 3/20 0.33
▸ F10 P00742 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PDK2 Q15119 2/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ FLT3 P36888 1/20 0.30
▸ CYP17A1 P05093 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL21159941 0.90 ALK (0.33) ALKPGRF10F11F7
SCHEMBL21160365 0.89 ALK (0.34) ALKPGRF10F11F7
SCHEMBL22056938 0.89 ALK (0.34) ALKPGRF10F11F7
SCHEMBL21159721 0.89 ADORA2A (0.36) PGR
SCHEMBL23655146 0.88 PGR (0.34) ALKPGRF10F11F7
SCHEMBL23095464 0.87 ALK (0.34) ALKPGRF10F11F7
SCHEMBL21159940 0.87 — —
SCHEMBL22841525 0.87 PGR (0.36) ALKPGRF10F11F7
SCHEMBL22814499 0.86 PGR (0.38) ALKPGRF10F11F7
SCHEMBL22114952 0.86 PGR (0.38) ALKPGRF10F11F7

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
EP-3498804-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-06-03 — — EP disclosed
EP-3498804-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-06-19 — — EP disclosed
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