SCHEMBL29532763

SCHEMBL29532763

O=C1Cc2ccc(Br)c3cccc(c23)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 5/20 0.50
▸ PDK2 Q15119 1/20 0.50
▸ CMA1 P23946 2/20 0.49
▸ CCNB2 O95067 7/20 0.45
▸ CDK1 P06493 7/20 0.45
▸ CCNB1 P14635 7/20 0.45
▸ GSK3B P49841 7/20 0.45
▸ CDK5 Q00535 7/20 0.45
▸ CDK5R1 Q15078 7/20 0.45
▸ CCNB3 Q8WWL7 7/20 0.45
▸ TDP2 O95551 3/20 0.42
▸ EIF2AK2 P19525 1/20 0.40
▸ CCNT1 O60563 2/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ CCNA1 P78396 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL24317852 1.00 AHR (0.50) AHRPDK2CMA1CCNB2CDK1
SCHEMBL24317908 0.75 CYP1B1 (0.39) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL29532897 0.75 CYP1B1 (0.39) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL30736009 0.73 AHR (0.64) AHRPDK2CMA1TDP2EIF2AK2
SCHEMBL4199395 0.73 AHR (0.64) AHRPDK2CMA1TDP2EIF2AK2
SCHEMBL8482582 0.72 KDR (0.48) CDK5CDK5R1KDRKDM4EMEN1
SCHEMBL29822885 0.72 ALDH1A1 (0.55) KDM4EMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL29532065 0.72 KDR (0.48) CDK5CDK5R1KDRKDM4EMEN1
SCHEMBL3583801 0.72 ALDH1A1 (0.55) KDM4EMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL30517035 0.72 ALDH1A1 (0.55) KDM4EMEN1ALDH1A1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118451068-A Tri-fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-06 — — CN disclosed
CN-116723839-A Tricyclic heterobifunctional compounds for degrading target proteins C4医药公司 2023-09-08 — — CN disclosed
EP-4228624-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 Therapeutics, Inc. (US) 2023-08-23 — — EP disclosed
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 — — WO disclosed
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