SCHEMBL30872149

SCHEMBL30872149

O=C1Nc2ccc(F)c3cc(Br)cc1c23

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.46
CES1 P23141 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CDK2 P24941 7/20 0.41
KDR P35968 1/20 0.39
CDK1 P06493 3/20 0.38
CCNB2 O95067 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
GSK3B P49841 1/20 0.37
LRRK2 Q5S007 2/20 0.35
AGTR1 P30556 1/20 0.35
MAP1LC3B Q9GZQ8 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
SCHEMBL26644600 1.00 TGM2 (0.46) TGM2CES1NPSR1CDK2KDR
SCHEMBL31108687 0.82 TGM2 (0.45) TGM2CES1NPSR1CDK2KDR
SCHEMBL31108708 0.78 TGM2 (0.41) TGM2CES1NPSR1KDRCDK1
SCHEMBL31015641 0.78 CDK2 (0.40) TGM2CES1CDK2KDRCDK5
SCHEMBL28490501 0.77 GABRA1 (0.42) TGM2CES1NPSR1KDRCDK1
SCHEMBL31015666 0.76 CDK2 (0.40) TGM2CES1CDK2KDR
SCHEMBL31015656 0.76 CDK2 (0.40) TGM2CDK2KDRMEN1KMT2A
SCHEMBL27453741 0.75 KDR (0.38) TGM2CES1NPSR1CDK2KDR
SCHEMBL31015679 0.75 TLK2 (0.43) TGM2CDK2KDRCDK5CDK5R1
SCHEMBL31015728 0.74 CDK2 (0.39) TGM2CDK2KDRLRRK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119212724-A Engineered immune effector cells and their use in combination with CBL-b inhibitors 上海先博生物科技有限公司 2024-12-27 CN disclosed
CN-118791465-A Cbl-b inhibitors 北京诺诚健华医药科技有限公司 2024-10-18 CN disclosed
WO-2024212941-A1 CBL-B INHIBITOR 北京诺诚健华医药科技有限公司 2024-10-17 WO disclosed
WO-2024153246-A1 SUBSTITUTED TRICYCLIC COMPOUND AND USE THEREOF 海南先声再明医药股份有限公司 2024-07-25 WO disclosed
CN-117940404-A Tricyclic compounds as Cbl-b inhibitors 海南先声再明医药股份有限公司 2024-04-26 CN disclosed