SCHEMBL23947222

SCHEMBL23947222

Clc1cccc2cc(C3NC(c4ccc5ccccc5c4)=NC(c4ccc5ccccc5c4)N3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NISCH Q9Y2I1 1/20 0.33
▸ PTGES O14684 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ EGFR P00533 3/20 0.32
▸ ERBB2 P04626 3/20 0.32
▸ ERBB3 P21860 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ PTK2 Q05397 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ FABP3 P05413 1/20 0.31
▸ FABP4 P15090 1/20 0.31
▸ FABP5 Q01469 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 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
SCHEMBL27382120 0.87 NISCH (0.39) NISCHCYP1A2SLC6A2POLBHSD17B1
SCHEMBL27382694 0.81 EGFR (0.31) EGFRERBB2HSD17B1HSD17B2
SCHEMBL27382317 0.81 HSD17B1 (0.35) MEN1KMT2ANISCHCYP1A2EGFR
SCHEMBL24356941 0.81 EGFR (0.39) MEN1KMT2ANISCHCYP2A6EGFR
SCHEMBL25544509 0.80 NISCH (0.33) NISCHPTGESCYP1A2CYP2A6EGFR
SCHEMBL19534213 0.79 NISCH (0.35) NISCHCYP1A2
SCHEMBL19452543 0.79 — —
SCHEMBL24890179 0.78 CYP1A1 (0.31) —
SCHEMBL23946671 0.78 — —
SCHEMBL27381789 0.78 HSD17B1 (0.33) MEN1KMT2ACYP1A2EGFRERBB2

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
WO-2023090836-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-05-25 — — WO disclosed
WO-2023085881-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-05-19 — — WO disclosed
WO-2021210911-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-10-21 — — WO disclosed
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