SCHEMBL30833751

SCHEMBL30833751

CN1CCN(C2CCN(c3cnc4ccc(N)cc4n3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.51
HTR3A P46098 2/20 0.51
ACVR1 Q04771 6/20 0.42
HRH3 Q9Y5N1 4/20 0.40
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40
MELK Q14680 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CCR4 P51679 1/20 0.39
MET P08581 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL29190547 1.00 HRH4 (0.51) HRH4HTR3AACVR1HRH3BMPR1B
SCHEMBL30833674 0.95 HRH4 (0.55) HRH4HTR3AACVR1HRH3BMPR1B
SCHEMBL29190636 0.87 HRH4 (0.66) HRH4HTR3AHRH3HCAR2MET
SCHEMBL30833763 0.87 HRH4 (0.66) HRH4HTR3AHRH3HCAR2MET
SCHEMBL28750186 0.86 HRH4 (0.51) HRH4HTR3AACVR1HRH3BMPR1B
SCHEMBL5910594 0.84 HRH3 (0.46) HRH4HTR3AHRH3HCAR2CCR4
SCHEMBL29190695 0.82 HRH4 (0.70) HRH4HTR3AHRH3HCAR2MET
SCHEMBL12928147 0.81 PIK3CA (0.61) HRH4HTR3AACVR1HRH3MELK
SCHEMBL29190591 0.81 HRH4 (0.46) HRH4HTR3AHRH3MET
SCHEMBL10126760 0.78 GRIN2D (0.46) HRH4HTR3AACVR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed