SCHEMBL17523048

SCHEMBL17523048

O=C1c2ccc(Br)cc2CN1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 2/20 0.43
▸ PARP10 Q53GL7 2/20 0.42
▸ TDP2 O95551 1/20 0.42
▸ PARP11 Q9NR21 1/20 0.42
▸ SDCBP O00560 1/20 0.42
▸ SDC2 P34741 1/20 0.42
▸ S100A4 P26447 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ SRD5A1 P18405 2/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ PTPRC P08575 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.35

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
SCHEMBL290250 0.78 BRD4 (0.56) METAP1PARP10TDP2PARP11SDCBP
SCHEMBL30833835 0.78 METAP1 (0.47) METAP1PARP10TDP2PARP11SDCBP
SCHEMBL17179269 0.78 METAP1 (0.43) METAP1PARP10TDP2PARP11SDCBP
SCHEMBL27172637 0.78 METAP1 (0.47) METAP1PARP10TDP2PARP11SDCBP
SCHEMBL7601380 0.75 NPC1 (0.50) METAP1PARP10TDP2PARP11SDCBP
SCHEMBL1029578 0.74 HSD17B3 (0.49) METAP1PARP10TDP2PARP11SDCBP
SCHEMBL30336648 0.74 SDCBP (0.42) METAP1PARP10TDP2PARP11SDCBP
SCHEMBL2144912 0.74 SDCBP (0.48) METAP1PARP10TDP2PARP11SDCBP
SCHEMBL1500062 0.74 MAOA (0.46) METAP1PARP10TDP2PARP11SDCBP
SCHEMBL1500134 0.74 SDCBP (0.42) METAP1PARP10TDP2PARP11SDCBP

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
CN-111057048-B Aminopyrazine/pyridine compound, preparation method and application 上海凌达生物医药有限公司 2022-03-18 — — CN disclosed
WO-2016197114-A1 TANK-BINDING KINASE-1 PROTACS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2016-12-08 — — WO disclosed
EP-2985285-A1 ESTROGEN-RELATED RECEPTOR ALPHA BASED PROTAC COMPOUNDS AND ASSOCIATED METHODS OF USE Yale University (US) 2016-02-17 — — EP disclosed
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