SCHEMBL30789586

SCHEMBL30789586

N#Cc1nc(N2CCC[C@H]2CO)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 4/20 0.45
▸ CUL4A Q13619 1/20 0.42
▸ CHUK O15111 2/20 0.41
▸ MAPT P10636 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ FPR2 P25090 1/20 0.35
▸ SCN9A Q15858 1/20 0.35

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
SCHEMBL30789711 0.97 CUL4A (0.46) BCL6CUL4ACHUKMAPTCYP1A2
SCHEMBL30789738 0.93 BCL6 (0.38) BCL6CUL4ACHUKMAPTCYP1A2
SCHEMBL30789432 0.83 JAK2 (0.39) BCL6MAPTALDH1A1MAPK1POLB
SCHEMBL30789741 0.79 CUL4A (0.44) BCL6CUL4ACHUKMAPTCYP1A2
SCHEMBL30789637 0.76 PRKCQ (0.45) MAPTALDH1A1CTSS
SCHEMBL30789632 0.76 PRKCQ (0.45) MAPTALDH1A1CTSS
SCHEMBL30789385 0.76 CUL4A (0.48) BCL6CUL4ACHUKMAPTCYP1A2
SCHEMBL30789585 0.75 ALDH1A1 (0.40) BCL6CUL4ACHUKMAPTCYP1A2
SCHEMBL5822677 0.73 MAPT (0.55) CUL4AMAPTCYP1A2CYP2C9ALDH1A1
SCHEMBL29713599 0.73 MAPT (0.55) CUL4AMAPTCYP1A2CYP2C9ALDH1A1

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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