SCHEMBL30182153

SCHEMBL30182153

Cc1ccc2[nH]cc(B3OC(C)(C)C(C)(C)O3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.42
HTR2A P28223 2/20 0.42
IDO1 P14902 1/20 0.42
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
NR4A2 P43354 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
FTO Q9C0B1 1/20 0.38
SLC6A4 P31645 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
APOBEC3A P31941 1/20 0.36
GFER P55789 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR1A P08908 2/20 0.35

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
SCHEMBL29484287 0.83 GPR84 (0.45) HTR2AIDO1KMT2AHTR1AHTR2C
SCHEMBL3180731 0.81 GPR84 (0.50) HTR1DHTR2AIDO1RAB9AKDM4E
SCHEMBL2111365 0.79 ATM (0.44) HTR1DHTR2AKDM4EHSD17B10MEN1
SCHEMBL29414051 0.79 ATM (0.44) HTR1DHTR2AKDM4EHSD17B10MEN1
SCHEMBL25508375 0.76 IDO1 (0.39) IDO1
SCHEMBL25552418 0.75 ACHE (0.38) RAB9AKDM4EHSD17B10LMNAMEN1
SCHEMBL657502 0.74 IDO1 (0.44) IDO1SLC6A4SLC6A3
SCHEMBL31152368 0.73 CYP2C19 (0.33)
SCHEMBL16775466 0.73 CYP2C19 (0.33)
SCHEMBL3197383 0.73 CDK4 (0.49) HTR2ARAB9AKDM4EHSD17B10MEN1

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-4370515-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2024-05-22 EP disclosed
WO-2023287896-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2023-01-19 WO disclosed