SCHEMBL19829493

SCHEMBL19829493

Cc1cc(-c2ccccc2-c2ccc3ccc(-c4ccccc4-c4cc(C)c5cccnc5n4)cc3c2)nc2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
DHODH Q02127 3/20 0.38
TGFBR1 P36897 4/20 0.37
IDO1 P14902 1/20 0.36
ERN1 O75460 1/20 0.36
TRPA1 O75762 1/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
LCK P06239 1/20 0.35
KDR P35968 1/20 0.35
JAK3 P52333 1/20 0.35
MAPK14 Q16539 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ACVR1 Q04771 1/20 0.34

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
SCHEMBL19829496 0.85 CCR1 (0.41) CCR1CCR8DHODHBCHEACHE
SCHEMBL19829502 0.82 BCHE (0.44) CCR1CCR8DHODHBCHEACHE
SCHEMBL3378871 0.79 F2 (0.50) CCR1CCR8DHODHIDO1
SCHEMBL15976491 0.78 ALDH1A1 (0.49) CCR1CCR8DHODHKDRBCHE
SCHEMBL15976490 0.75 KDM4E (0.49) CCR1CCR8
SCHEMBL15976492 0.71 IDO1 (0.45) CCR1CCR8DHODHTGFBR1IDO1
SCHEMBL12424713 0.70 IDO1 (0.46) CCR1CCR8DHODHTGFBR1IDO1
SCHEMBL14241409 0.70 CCR1 (0.50) CCR1CCR8TGFBR1MAPK14BCHE
SCHEMBL14887720 0.69 MEN1 (0.41) CCR1CCR8DHODHIDO1
SCHEMBL14034363 0.69 KDM4E (0.56) DHODH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10686150-B2 Organic light emitting device LG CHEM, LTD. (KR) 2020-06-16 US disclosed
US-20180033989-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2018-02-01 US disclosed
US-20180033989-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2018-02-01 US disclosed