SCHEMBL29936014

SCHEMBL29936014

COc1ccc(CNc2ncc(I)c(C)c2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 5/20 0.46
MAP2K4 P45985 1/20 0.45
EGFR P00533 1/20 0.45
POLB P06746 1/20 0.45
NR2F2 P24468 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
THRB P10828 2/20 0.44
CDK1 P06493 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL26697704 1.00 VNN1 (0.46) VNN1MAP2K4EGFRPOLBNR2F2
SCHEMBL30000151 0.82 PTK2 (0.49) VNN1MAP2K4EGFRPOLBNR2F2
SCHEMBL26131177 0.77 CDK1 (0.47) VNN1MAP2K4EGFRPOLBNR2F2
SCHEMBL19407673 0.77 VNN1 (0.56) VNN1EGFRPOLBNR2F2CDK1
SCHEMBL30661275 0.75 CCNE2 (0.55) VNN1EGFRPOLBNR2F2CDK1
SCHEMBL7170316 0.75 APP (0.50) MAP2K4EGFRPOLBNR2F2THRB
SCHEMBL29133952 0.75 CCNE2 (0.55) VNN1EGFRPOLBNR2F2CDK1
SCHEMBL17011498 0.73 MAPT (0.47) VNN1MAP2K4EGFRPOLBNR2F2
SCHEMBL21046947 0.72 VNN1 (0.64) VNN1HDAC6THRBMEN1KMT2A
SCHEMBL25934362 0.72 VNN1 (0.64) VNN1HDAC6THRBMEN1KMT2A

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-118459485-A Amino-substituted heterocycles for the treatment of cancers with EGFR mutations 纽威伦特公司 2024-08-09 CN disclosed
EP-4323356-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS Nuvalent, Inc. (US) 2024-02-21 EP disclosed
CN-117500803-A Amino-substituted heterocycles for the treatment of cancers with EGFR mutations 纽威伦特公司 2024-02-02 CN disclosed
WO-2022221227-A9 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2023-11-30 WO disclosed
WO-2022221227-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2022-10-20 WO disclosed