SCHEMBL30302014

SCHEMBL30302014

[2H]C([2H])C(=O)c1cc(N)nc(C(F)(F)F)c1Br

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
CFTR P13569 1/20 0.33
IDO1 P14902 1/20 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
SCHEMBL31322072 0.89 CFTR (0.35) KDM4ECFTRIDO1
SCHEMBL31322042 0.72 SMN1; SMN2 (0.40) KDM4ECFTRIDO1
SCHEMBL2482824 0.69 BACE1 (0.44) KDM4ECFTR
SCHEMBL30302012 0.67 ENPP3 (0.33) KDM4E
SCHEMBL14968912 0.63 RCE1 (0.38) KDM4ECFTRIDO1
SCHEMBL14966182 0.59 TBK1 (0.40) KDM4ECFTRIDO1
SCHEMBL20073770 0.59 GABRP (0.55) KDM4EIDO1
SCHEMBL29883463 0.59 GABRP (0.55) KDM4EIDO1
SCHEMBL14969004 0.59 IKBKB (0.36) KDM4EIDO1
SCHEMBL21963087 0.59 ENPP3 (0.35)

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