SCHEMBL28347487

SCHEMBL28347487

COc1cncc(F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.35
CYP17A1 P05093 3/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 4/20 0.33
RAB9A P51151 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGFR P00533 1/20 0.32
LCK P06239 1/20 0.32
HTT P42858 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
FLT1 P17948 1/20 0.31
GAA P10253 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
SCHEMBL21736978 0.76 ALDH1A1 (0.38) CYP17A1CYP11B1CYP11B2ALDH1A1RAB9A
SCHEMBL18306474 0.76 TUBB1 (0.34) TDO2CYP17A1CYP11B1CYP11B2CYP3A4
SCHEMBL3977710 0.75
SCHEMBL28292563 0.74 GAA (0.42) TDO2CYP17A1CYP11B1CYP11B2CYP3A4
SCHEMBL21819564 0.74 L3MBTL1 (0.39) TDO2CYP17A1CYP11B1CYP11B2ALDH1A1
SCHEMBL30231238 0.74 L3MBTL1 (0.39) TDO2CYP17A1CYP11B1CYP11B2ALDH1A1
SCHEMBL22660811 0.74 POLB (0.34) CYP17A1CYP11B1CYP11B2ALDH1A1RAB9A
SCHEMBL18114233 0.74 TDO2 (0.35) TDO2CYP3A4ALDH1A1RAB9AKDM4E
SCHEMBL24656021 0.71 BRAF (0.33) TDO2CYP11B1CYP11B2ALDH1A1BRAF
SCHEMBL20844135 0.71 P2RX3 (0.36) CYP17A1CYP11B1CYP11B2ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024216164-A1 N2-((5-HYDROXY)-2-PYRIDYL)-PYRIDINE-2,4-DIAMINE DERIVATIVES AS EHMT1/2 MODULATORS FOR THE TREATMENT OF CANCER TANGO THERAPEUTICS, INC. (US) 2024-10-17 WO disclosed
CN-110669001-B Synthetic method of 3-fluoro-4-halogeno-5-methoxypyridine 阿里生物新材料(常州)有限公司 2022-05-13 CN disclosed
CN-110669001-A Synthetic method of 3-fluoro-4-halogeno-5-methoxypyridine 阿里生物新材料(常州)有限公司 2020-01-10 CN disclosed