SCHEMBL24712656

SCHEMBL24712656

Cc1c(Br)ccc2c(N3CCOCCC3=O)nc(Cl)nc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.35
RORC P51449 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
PIK3CA P42336 2/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MBOAT4 Q96T53 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
SCHEMBL24712889 0.83 PTGS2 (0.39) PTGS2RORC
SCHEMBL24711986 0.78 SMN1; SMN2 (0.44) SMN1; SMN2PIK3CAKDM4EALDH1A1HPGD
SCHEMBL24712653 0.73 TUBB4A (0.33) PTGS2SMN1; SMN2ALDH1A1
SCHEMBL24712352 0.70 CYP1A2 (0.37) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24711975 0.68 PRKCH (0.35) SMN1; SMN2KDM4EALDH1A1MBOAT4
SCHEMBL24711969 0.66 EPRS1 (0.38)
SCHEMBL2726482 0.65 HRH4 (0.50) SMN1; SMN2PIK3CAKDM4EALDH1A1HPGD
SCHEMBL24712657 0.64 SMN1; SMN2 (0.41) SMN1; SMN2PIK3CAKDM4EALDH1A1HPGD
SCHEMBL1284337 0.60 PIK3CA (0.46) SMN1; SMN2PIK3CAKDM4EALDH1A1ALOX15
SCHEMBL16166887 0.60 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4352061-A1 QUINAZOLINE DERIVATIVES USEFUL AS RAS INHIBITIORS Redx Pharma Plc (GB) 2024-04-17 EP disclosed
CN-117425658-A Quinazoline derivatives as RAS inhibitors 莱德克斯制药公共有限公司 2024-01-19 CN disclosed
WO-2022258974-A1 QUINAZOLINE DERIVATIVES USEFUL AS RAS INHIBITIORS REDX PHARMA PLC (GB) 2022-12-15 WO disclosed
WO-2022258974-A1 QUINAZOLINE DERIVATIVES USEFUL AS RAS INHIBITIORS REDX PHARMA PLC (GB) 2022-12-15 WO disclosed