SCHEMBL24876405

SCHEMBL24876405

Fc1ccc2cccnc2c1I

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
CCR1 P32246 3/20 0.58
CCR5 P51681 3/20 0.58
CCR8 P51685 3/20 0.58
MMP2 P08253 2/20 0.58
TSHR P16473 2/20 0.58
KDM4E B2RXH2 2/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
GMNN O75496 1/20 0.58
HSP90AA1 P07900 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
MMP9 P14780 1/20 0.58
ALOX15 P16050 1/20 0.58
NFKB1 P19838 1/20 0.58
MMP8 P22894 1/20 0.58
THPO P40225 1/20 0.58
MTOR P42345 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL29801849 0.79 LMNA (0.62) LMNACCR1CCR5CCR8MMP2
SCHEMBL3562790 0.79 LMNA (0.62) LMNACCR1CCR5CCR8MMP2
SCHEMBL8585888 0.78 LMNA (0.60) LMNACCR1CCR5CCR8MMP2
SCHEMBL14596487 0.76 KDM4E (0.58) LMNACCR1CCR5CCR8MMP2
SCHEMBL22028395 0.76 LMNA (0.58) LMNACCR1CCR5CCR8MMP2
SCHEMBL112625 0.76 MMP2 (0.58) LMNACCR1CCR5CCR8MMP2
SCHEMBL22026143 0.76 LMNA (0.63) LMNACCR1CCR5CCR8MMP2
SCHEMBL20480582 0.76 MMP2 (0.59) LMNACCR1CCR5CCR8MMP2
SCHEMBL31716531 0.76 LMNA (0.58) LMNACCR1CCR5CCR8MMP2
Phenanthroline SCHEMBL8845760 0.75 CCR1 (1.00) LMNACCR1CCR5CCR8MMP2

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-2023283213-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2023-01-12 WO disclosed