SCHEMBL21159665

SCHEMBL21159665

CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C6N=C(c7ccccc7)NC(c7ccccc7)N6)cc5)c5ccccc45)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PGR P06401 5/20 0.35
▸ ALK Q9UM73 5/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ F10 P00742 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ STK10 O94804 2/20 0.33
▸ SLK Q9H2G2 2/20 0.33
▸ CHEK1 O14757 1/20 0.31
▸ SRPK1 Q96SB4 2/20 0.31
▸ SRPK2 P78362 1/20 0.30
▸ KDM1A O60341 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
SCHEMBL21159691 0.93 PGR (0.36) NPC1RAB9APGRALKPDK2
SCHEMBL21159679 0.92 ALK (0.33) NPC1RAB9APGRALKF10
SCHEMBL22056450 0.91 PGR (0.35) NPC1RAB9APGRALKPDK2
SCHEMBL18818884 0.89 PDK2 (0.37) NPC1RAB9APGRALKPDK2
SCHEMBL18819304 0.89 F10 (0.34) NPC1RAB9APGRALKPDK2
SCHEMBL22056411 0.89 NPC1 (0.34) NPC1RAB9APGRALKPDK2
SCHEMBL21159944 0.88 F10 (0.33) NPC1RAB9AALKF10F11
SCHEMBL18819135 0.88 ALK (0.34) NPC1RAB9APGRALKPDK2
SCHEMBL18965447 0.88 PDK2 (0.33) PDK2
SCHEMBL21159977 0.88 NPC1 (0.46) NPC1RAB9AKDM1A

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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