SCHEMBL30878872

SCHEMBL30878872

CN1CCN(c2ccc(N)cc2NC(=O)CC2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.48
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ PLA2G1B P04054 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ WDR5 P61964 3/20 0.45
▸ GAA P10253 2/20 0.44
▸ NPBWR1 P48145 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL30879250 0.83 TSHR (0.56) MEN1KMT2AWDR5GAANPBWR1
SCHEMBL30879141 0.83 WDR5 (0.61) WDR5GAAALDH1A1
SCHEMBL30879226 0.81 RAB9A (0.49) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL10126893 0.79 WDR5 (0.56) KMT2APOLBWDR5GAAMAPT
SCHEMBL30921261 0.77 MAPT (0.49) MEN1KMT2APOLBWDR5GAA
SCHEMBL30878978 0.75 ALDH1A1 (0.53) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL16095355 0.75 EGFR (0.51) KMT2AWDR5GAAMAPTKDM4E
SCHEMBL14539057 0.74 AKR1C3 (0.43) AAK1APOBEC3AAPOBEC3GMEN1KMT2A
SCHEMBL10126927 0.74 WDR5 (0.49) KMT2APOLBWDR5MAPTKDM4E
SCHEMBL17017299 0.73 ALDH1A1 (0.52) MEN1KMT2APOLBNPC1WDR5

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
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