SCHEMBL30302012

SCHEMBL30302012

Nc1cc(I)c(Br)c(C(F)(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
BACE1 P56817 2/20 0.33
CA2 P00918 1/20 0.31
CHKA P35790 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2482824 0.78 BACE1 (0.44) ENPP3ENPP1BACE1CA2CHKA
SCHEMBL31256474 0.77 NOTUM (0.33) BACE1CA2CHKAKDM4E
SCHEMBL31322072 0.70 CFTR (0.35) KDM4E
SCHEMBL26059013 0.70 BACE1 (0.31) BACE1
SCHEMBL24738092 0.69 CA2 (0.33) CA2CHKA
SCHEMBL31256275 0.69 LMNA (0.41) BACE1
SCHEMBL503229 0.69 BACE1 (0.40) BACE1KDM4E
SCHEMBL21963087 0.68 ENPP3 (0.35) ENPP3ENPP1
SCHEMBL30302014 0.67 KDM4E (0.35) KDM4E
SCHEMBL2478082 0.67 BACE1 (0.44) ENPP3ENPP1BACE1CA2CHKA

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
EP-4358963-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-05-01 EP disclosed
WO-2022271679-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-12-29 WO disclosed