SCHEMBL30789741

SCHEMBL30789741

N#Cc1nc(N2CCC[C@H]2CO)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CUL4A Q13619 1/20 0.44
▸ CHUK O15111 2/20 0.44
▸ MAPT P10636 4/20 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
▸ CCNE2 O96020 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ BCL6 P41182 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 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
SCHEMBL30789385 0.97 CUL4A (0.48) CUL4ACHUKMAPTCYP1A2CYP3A4
SCHEMBL30789448 0.93 CUL4A (0.39) CUL4ACHUKMAPTCYP1A2CYP3A4
SCHEMBL30789621 0.84 KMT2A (0.35) CUL4AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30789586 0.79 BCL6 (0.45) CUL4ACHUKMAPTCYP1A2CYP3A4
SCHEMBL30789711 0.76 CUL4A (0.46) CUL4ACHUKMAPTCYP1A2CYP3A4
SCHEMBL17111542 0.75 CUL4A (0.50) CUL4AMAPTCCNE2CDK4CCND1
SCHEMBL17111487 0.75 CUL4A (0.50) CUL4AMAPTCCNE2CDK4CCND1
SCHEMBL30789738 0.71 BCL6 (0.38) CUL4ACHUKMAPTCYP1A2CYP3A4
SCHEMBL29662453 0.71 SMN1; SMN2 (0.37) CUL4AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL30789707 0.69 MAPT (0.41) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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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