SCHEMBL30879226

SCHEMBL30879226

CN1CCN(c2ccc(N)cc2NC(=O)NC2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.49
▸ EPHX1 P07099 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ WDR5 P61964 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAD52 P43351 1/20 0.45
▸ UBE2M P61081 1/20 0.43
▸ DCUN1D1 Q96GG9 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ RBBP5 Q15291 1/20 0.43
▸ ASH2L Q9UBL3 1/20 0.43

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
SCHEMBL30879180 0.82 WDR5 (0.62) GAAWDR5HTT
SCHEMBL30878872 0.81 AAK1 (0.48) RAB9AGAAWDR5KMT2AMEN1
SCHEMBL10126893 0.80 WDR5 (0.56) GAAWDR5KMT2APOLBKDM4E
SCHEMBL30921393 0.79 MAPT (0.52) GAAWDR5KMT2AMEN1HTT
SCHEMBL30879250 0.77 TSHR (0.56) GAAWDR5KMT2ASMN1; SMN2MEN1
SCHEMBL16095355 0.76 EGFR (0.51) GAAWDR5KMT2ASMN1; SMN2KDM4E
SCHEMBL1658401 0.75 ROCK2 (0.49) GAAKMT2ASMN1; SMN2MEN1HTT
SCHEMBL10126927 0.74 WDR5 (0.49) WDR5KMT2APOLBKDM4EMAPT
SCHEMBL1660509 0.74 ROCK2 (0.48) GAAWDR5KMT2ASMN1; SMN2MEN1
SCHEMBL17017299 0.74 ALDH1A1 (0.52) GAAWDR5KMT2AMEN1HTT

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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