SCHEMBL30833716

SCHEMBL30833716

CSc1ccccc1Nc1nc(Cl)ncc1Br

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.52
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALK Q9UM73 3/20 0.44
CDK19 Q9BWU1 2/20 0.44
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
LRRK2 Q5S007 1/20 0.40
MAPK8 P45983 2/20 0.40
PTK2 Q05397 1/20 0.38
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL4025891 1.00 IGF1R (0.52) IGF1RKMT2AMEN1ALKCDK19
SCHEMBL24073506 0.85 CCNA2 (0.44) KMT2AALKALDH1A1MAPTALOX15
SCHEMBL30223473 0.85 CCNA2 (0.44) KMT2AALKALDH1A1MAPTALOX15
SCHEMBL25056502 0.84 IGF1R (0.51) IGF1RKMT2AMEN1ALKCDK19
SCHEMBL25056242 0.81 IGF1R (0.48) IGF1RKMT2AMEN1ALKCDK19
SCHEMBL24716006 0.80 ULK1 (0.48) IGF1RLRRK2PTK2
SCHEMBL17544687 0.79 IGF1R (0.55) IGF1RKMT2AMEN1ALKCDK19
SCHEMBL24260666 0.79 IGF1R (0.55) IGF1RKMT2AMEN1ALKCDK19
SCHEMBL30833802 0.79 IGF1R (0.55) IGF1RKMT2AMEN1ALKCDK19
SCHEMBL15699963 0.79 L3MBTL1 (0.48) KMT2AMEN1ALDH1A1MAPTALOX15

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 1 patent. 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