SCHEMBL30789738

SCHEMBL30789738

N#Cc1nc(N2CC[C@H]2CO)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 3/20 0.38
▸ CTSS P25774 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CUL4A Q13619 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CTSB P07858 1/20 0.34
▸ CHUK O15111 2/20 0.34

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
SCHEMBL30789586 0.93 BCL6 (0.45) BCL6CTSSMAPTALDH1A1MAPK1
SCHEMBL30789711 0.92 CUL4A (0.46) BCL6CTSSMAPTALDH1A1MAPK1
SCHEMBL30789432 0.85 JAK2 (0.39) BCL6CTSSMAPTALDH1A1MAPK1
SCHEMBL30789637 0.78 PRKCQ (0.45) CTSSMAPTALDH1A1KMT2AMEN1
SCHEMBL30789632 0.78 PRKCQ (0.45) CTSSMAPTALDH1A1KMT2AMEN1
SCHEMBL30789448 0.78 CUL4A (0.39) MAPTALDH1A1MAPK1POLBCUL4A
SCHEMBL30789741 0.71 CUL4A (0.44) BCL6MAPTALDH1A1CUL4ACYP1A2
SCHEMBL30789385 0.71 CUL4A (0.48) BCL6MAPTALDH1A1POLBCUL4A
SCHEMBL25407976 0.67 POLB (0.34) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL5822677 0.65 MAPT (0.55) MAPTALDH1A1MAPK1POLBCUL4A

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-4587124-A1 POLYCYCLIC QUINAZOLINES FOR INHIBITION OF ERBB2 Enliven Inc. (US) 2025-07-23 — — EP disclosed
WO-2024059558-A1 POLYCYCLIC QUINAZOLINES FOR INHIBITION OF ERBB2 ENLIVEN INC. (US) 2024-03-21 — — WO disclosed
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