SCHEMBL30833706

SCHEMBL30833706

O=S(=O)(NCC1CC1)c1ccccc1Nc1nc(Cl)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 6/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CNR2 P34972 2/20 0.43
ALK Q9UM73 1/20 0.42
ULK1 O75385 2/20 0.41
IGF1R P08069 1/20 0.41
GBA1 P04062 1/20 0.40
NSD2 O96028 1/20 0.40
AQP1 P29972 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL375399 0.83 ZAP70 (0.46) ZAP70CDK7CDK9ALKULK1
SCHEMBL31251230 0.81 CDK7 (0.53) ZAP70CDK7CDK9ALKULK1
SCHEMBL375360 0.81 ZAP70 (0.61) ZAP70CDK7CDK9ALKULK1
SCHEMBL4095652 0.79 IGF1R (0.50) ZAP70CDK7CDK9ALKULK1
SCHEMBL375527 0.79 IGF1R (0.50) ZAP70CDK7CDK9ALKULK1
SCHEMBL4103133 0.78 IGF1R (0.49) ZAP70CDK7CDK9ALKULK1
SCHEMBL29190691 0.78 ALK (0.59) ZAP70CDK7CDK9ALKULK1
SCHEMBL4094489 0.78 ZAP70 (0.48) ZAP70CDK7CDK9ALKULK1
SCHEMBL25056256 0.75 ZAP70 (0.48) ZAP70CDK7CDK9ALKULK1
SCHEMBL31251181 0.75 IGF1R (0.46) ZAP70CDK7CDK9ALKULK1

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