SCHEMBL31492341

SCHEMBL31492341

C[C@H]1CNCCN1c1ncnc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.62
▸ HTT P42858 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ NCOA3 Q9Y6Q9 1/20 0.62
▸ HRH4 Q9H3N8 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ PTK2 Q05397 1/20 0.46
▸ HRH1 P35367 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ SPAST Q9UBP0 1/20 0.43
▸ CYP1A2 P05177 4/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ CLK4 Q9HAZ1 4/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ JAK3 P52333 2/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40

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
SCHEMBL30704217 0.83 LATS1 (0.49) LMNAHTTSMN1; SMN2NCOA3ALDH1A1
SCHEMBL31540829 0.83 LATS1 (0.49) LMNAHTTSMN1; SMN2NCOA3ALDH1A1
SCHEMBL31745311 0.82 HTT (0.63) LMNAHTTSMN1; SMN2NCOA3ALDH1A1
SCHEMBL31259000 0.82 HTR2C (0.46) LMNAHTTSMN1; SMN2NCOA3SPAST
SCHEMBL29813234 0.82 HTR2A (0.46) LMNAHTTSMN1; SMN2NCOA3SPAST
SCHEMBL11882183 0.82 LMNA (0.47) LMNAHTTSMN1; SMN2NCOA3HRH4
SCHEMBL27911852 0.79 HTT (0.47) LMNAHTTSMN1; SMN2NCOA3HRH4
SCHEMBL14094443 0.78 HTR2C (0.59) HRH4TSHRSPASTCYP3A4CYP2C19
SCHEMBL1205270 0.78 HTR2C (0.59) HRH4TSHRSPASTCYP3A4CYP2C19
SCHEMBL5667529 0.77 SPAST (0.43) LMNAHTTSMN1; SMN2NCOA3ALDH1A1

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-119677726-A KRAS inhibitors 百时美施贵宝公司 2025-03-21 — — CN disclosed
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