SCHEMBL30878960

SCHEMBL30878960

C=Cc1c(Cc2ccccc2)c(=O)n(C)c2nc(SC)ncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 3/20 0.35
CYP1A2 P05177 3/20 0.35
LMNA P02545 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTBP1 P26599 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CREBBP Q92793 1/20 0.35
HSD17B10 Q99714 3/20 0.35
CASP1 P29466 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
SCHEMBL30879040 0.83 KDM4E (0.39) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL30878903 0.81 KMT2A (0.43) ALDH1A1KDM4EMEN1KMT2ARXFP1
SCHEMBL30879167 0.78 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL30879030 0.76 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL30879156 0.75 WEE1 (0.48) KDM4ELMNAMAPTSRC
SCHEMBL30879082 0.75 FGFR1 (0.40) KDM4ELMNAMAPTSRC
SCHEMBL30878469 0.72 CCNT1 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL13554016 0.68 CCNB2 (0.39) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4770644 0.68 CTSS (0.43) ALDH1A1HPGDMEN1KMT2ATSHR
SCHEMBL23126614 0.67 WEE1 (0.51) MEN1KMT2A

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-4612148-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed