SCHEMBL30895900

SCHEMBL30895900

CN1CCN(c2cccc(-c3ccc4cnc(CN)cc4n3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 11/20 0.43
▸ HTR3E A5X5Y0 4/20 0.43
▸ HTR3B O95264 4/20 0.43
▸ HTR3D Q70Z44 4/20 0.43
▸ HTR3C Q8WXA8 4/20 0.43
▸ HRH4 Q9H3N8 5/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ PIM1 P11309 2/20 0.39
▸ PIM2 Q9P1W9 2/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 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
SCHEMBL26970022 0.90 PIM1 (0.37) PIM1PIM2PIM3
SCHEMBL23732030 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EPIM1PIM2PIM3
SCHEMBL30657919 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EPIM1PIM2PIM3
SCHEMBL26653923 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EPIM1PIM2PIM3
Hydrochloric Acid SCHEMBL30103133 0.81 PIK3CA (0.39) ALDH1A1KDM4EPIM1PIM2PIM3
Hydrochloric Acid SCHEMBL23705466 0.81 PIK3CA (0.39) ALDH1A1KDM4EPIM1PIM2PIM3
SCHEMBL31401330 0.81 PIM1 (0.33) PIM1PIM2PIM3
Hydrochloric Acid SCHEMBL23705467 0.81 PIK3CA (0.39) ALDH1A1KDM4EPIM1PIM2PIM3
SCHEMBL31396242 0.78 PIM1 (0.35) HRH4PIM1PIM2PIM3
SCHEMBL31401127 0.78 CCNT1 (0.35) PIM1PIM2PIM3

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-4608831-A1 COMPOUNDS AND USES THEREOF Suzhou Zanrong Pharma Limited (CN) 2025-09-03 — — EP disclosed
WO-2024088351-A1 COMPOUNDS AND USES THEREOF SUZHOU ZANRONG PHARMA LIMITED (CN) 2024-05-02 — — WO disclosed
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