SCHEMBL28899702

SCHEMBL28899702

Clc1ncc(Br)c(Nc2[c]cccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
IGF1R P08069 6/20 0.43
PIN1 Q13526 3/20 0.37
CDK19 Q9BWU1 2/20 0.34
ALK Q9UM73 2/20 0.34
EGFR P00533 2/20 0.34
GSK3B P49841 1/20 0.34
SYK P43405 1/20 0.33
MAPK8 P45983 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL21410360 0.85 BCL6 (0.42) PIN1CDK19ALKEGFRLRRK2
SCHEMBL1774193 0.76 IGF1R (0.68) MEN1KMT2AIGF1RPIN1CDK19
SCHEMBL5260245 0.73 PTK2 (0.51) MEN1KMT2AIGF1RCDK2KDR
SCHEMBL24260666 0.72 IGF1R (0.55) MEN1KMT2AIGF1RCDK19ALK
SCHEMBL30833802 0.72 IGF1R (0.55) MEN1KMT2AIGF1RCDK19ALK
SCHEMBL17544687 0.72 IGF1R (0.55) MEN1KMT2AIGF1RCDK19ALK
SCHEMBL3407903 0.71 IGF1R (0.41) MEN1KMT2AIGF1RCDK19ALK
SCHEMBL4025891 0.70 IGF1R (0.52) MEN1KMT2AIGF1RCDK19ALK
SCHEMBL30833716 0.70 IGF1R (0.52) MEN1KMT2AIGF1RCDK19ALK
SCHEMBL14240127 0.70 IGF1R (0.52) MEN1KMT2AIGF1RPIN1CDK19

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-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed
CN-117222637-A EGFR degrading agents and related methods of use 百济神州有限公司 2023-12-12 CN disclosed
CN-115260237-A EGFR-degrading agents and related methods of use 百济神州(北京)生物科技有限公司 2022-11-01 CN disclosed