SCHEMBL26048498

SCHEMBL26048498

C=C/C(I)=C\C(F)=C(/C)Nc1cncc2ccn(CCCNC(=O)OC(C)(C)C)c(=O)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 4/20 0.34
▸ EGFR P00533 3/20 0.34
▸ STK17B O94768 1/20 0.33
▸ STK17A Q9UEE5 1/20 0.33
▸ PDPK1 O15530 1/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ PRKCB P05771 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ LYN P07948 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ MAPK3 P27361 2/20 0.32
▸ DRD2 P14416 3/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ BRD4 O60885 2/20 0.31

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
SCHEMBL31096165 0.78 STK17B (0.41) STK17BSTK17APDPK1CCNB2PRKCB
SCHEMBL24407526 0.78 STK17B (0.41) STK17BSTK17APDPK1CCNB2PRKCB
SCHEMBL29537142 0.76 MAP2K1 (0.46) —
SCHEMBL23853996 0.76 MAP2K1 (0.46) —
SCHEMBL23854138 0.63 HDAC1 (0.36) —
SCHEMBL27141591 0.63 LATS1 (0.45) DRD2CYP3A4STING1
SCHEMBL30782353 0.63 LATS1 (0.45) DRD2CYP3A4STING1
SCHEMBL3387585 0.63 DRD2 (0.47) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL18918183 0.63 STK17B (0.43) STK17BSTK17APDPK1CCNB2PRKCB
SCHEMBL24110648 0.62 MTNR1A (0.46) STK17BSTK17ADRD2CYP3A4BRD4

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
EP-4233865-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS NFlection Therapeutics, Inc. (US) 2023-08-30 — — EP disclosed
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