SCHEMBL21557746

SCHEMBL21557746

CP(C)c1ccccc1Nc1nc(Cl)ncc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.51
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALK Q9UM73 4/20 0.43
CDK19 Q9BWU1 2/20 0.43
LRRK2 Q5S007 1/20 0.39
MAPK8 P45983 3/20 0.39
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
LCK P06239 1/20 0.36
CDC7 O00311 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 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
SCHEMBL30701638 1.00 IGF1R (0.51) IGF1RKMT2AMEN1ALKCDK19
SCHEMBL15600758 0.86 CCNA2 (0.43) IGF1RKMT2AALKLRRK2MAPK8
SCHEMBL29761996 0.86 CCNA2 (0.43) IGF1RKMT2AALKLRRK2MAPK8
SCHEMBL30833778 0.86 CCNA2 (0.43) IGF1RKMT2AALKLRRK2MAPK8
SCHEMBL22520101 0.84 LRRK2 (0.38) IGF1RKMT2ALRRK2LCKCDK2
SCHEMBL23153877 0.84 IGF1R (0.41) IGF1RKMT2AMEN1ALKCDK19
SCHEMBL14240127 0.84 IGF1R (0.52) IGF1RKMT2AMEN1ALKCDK19
SCHEMBL24179136 0.84 MEN1 (0.44) IGF1RKMT2AMEN1ALKCDK19
SCHEMBL25530155 0.83 AURKA (0.47) IGF1RKMT2AALKMAPK8MAPK9
SCHEMBL25449173 0.83 MEN1 (0.43) IGF1RKMT2AMEN1ALKCDK19

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-116888108-B Novel EGFR degradation agent 上海齐鲁制药研究中心有限公司 2024-04-19 CN disclosed
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-117425646-A Phosphono derivative, composition thereof and pharmaceutical application thereof 西藏海思科制药有限公司 2024-01-19 CN disclosed
CN-116888108-A Novel EGFR degradation agent 上海齐鲁制药研究中心有限公司 2023-10-13 CN disclosed
EP-2844642-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2019-11-13 EP disclosed