SCHEMBL24565202

SCHEMBL24565202

CSN(O)c1ccccc1Nc1nc(Nc2ccc3c(c2)OCC2COCCN32)ncc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 4/20 0.47
▸ MAPK10 P53779 4/20 0.47
▸ MAPK8 P45983 2/20 0.46
▸ CCNK O75909 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ EGFR P00533 6/20 0.45
▸ ALK Q9UM73 2/20 0.45
▸ PTK2 Q05397 5/20 0.43
▸ PKMYT1 Q99640 2/20 0.43
▸ INSR P06213 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ PTK2B Q14289 1/20 0.43
▸ SLC2A1 P11166 1/20 0.43
▸ ULK1 O75385 1/20 0.42
▸ MET P08581 1/20 0.41
▸ BRD4 O60885 1/20 0.41

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
SCHEMBL22460248 0.83 EGFR (0.60) EGFRALKPTK2INSRIGF1R
SCHEMBL22460093 0.83 EGFR (0.60) EGFRALKPTK2INSRIGF1R
SCHEMBL29747072 0.83 EGFR (0.56) MAPK9MAPK10CCNKCCNA2CDK2
SCHEMBL24429801 0.83 EGFR (0.60) EGFRALKPTK2INSRIGF1R
SCHEMBL29746768 0.83 ZAP70 (0.56) MAPK9MAPK10MAPK8CCNKCCNA2
SCHEMBL29747119 0.83 ZAP70 (0.56) MAPK9MAPK10MAPK8CCNKCCNA2
SCHEMBL29747821 0.83 EGFR (0.56) MAPK9MAPK10CCNKCCNA2CDK2
SCHEMBL24565459 0.74 PTK2 (0.46) MAPK8EGFRALKPTK2IGF1R
SCHEMBL24565476 0.74 BRD4 (0.40) EGFRALKPTK2BRD4
SCHEMBL22460299 0.72 EGFR (0.56) EGFRALKPTK2INSRIGF1R

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
WO-2022139386-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 주식회사 비투에스바이오 2022-06-30 — — WO disclosed
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