SCHEMBL30955607

SCHEMBL30955607

CC(C)N1C(=O)N(c2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2F)Cc2cnc(NC3CCC(N(C)C)CC3)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.59
TNK2 Q07912 3/20 0.38
MAP4K2 Q12851 3/20 0.38
CSF1R P07333 4/20 0.36
EGFR P00533 4/20 0.36
JAK2 O60674 5/20 0.33
BRD4 O60885 5/20 0.33
PIK3CD O00329 1/20 0.33
CCNK O75909 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
CDK6 Q00534 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32

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
SCHEMBL30955566 0.93 ERN1 (0.60) ERN1TNK2MAP4K2CSF1REGFR
SCHEMBL30955483 0.89 ERN1 (0.54) ERN1TNK2MAP4K2CSF1REGFR
SCHEMBL30955493 0.89 ERN1 (0.54) ERN1TNK2MAP4K2CSF1REGFR
SCHEMBL30955563 0.87 ERN1 (0.54) ERN1TNK2MAP4K2CSF1REGFR
SCHEMBL30955542 0.85 ERN1 (0.49) ERN1TNK2MAP4K2CSF1REGFR
SCHEMBL30955530 0.83 ERN1 (0.47) ERN1TNK2MAP4K2EGFRCDK2
SCHEMBL30955613 0.83 ERN1 (0.47) ERN1TNK2MAP4K2CSF1REGFR
SCHEMBL30955606 0.82 ERN1 (0.47) ERN1CSF1REGFRBRD4FGFR1
SCHEMBL30955678 0.82 ERN1 (0.38) ERN1BRD4BRD2BRD3BRDT
SCHEMBL30955633 0.81 ERN1 (0.39) ERN1BRD4CCNA2CDK2FGFR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024131893-A1 IRE1α SMALL MOLECULE INHIBITORS SHANGHAI YI ZHONG XING BIOTECHNOLOGY CO., LTD. (CN) 2024-06-27 WO claimed
WO-2024131893-A1 IRE1α SMALL MOLECULE INHIBITORS SHANGHAI YI ZHONG XING BIOTECHNOLOGY CO., LTD. (CN) 2024-06-27 WO disclosed