SCHEMBL30789385

SCHEMBL30789385

N#Cc1nc(N2CCCC[C@H]2CO)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CUL4A Q13619 1/20 0.48
▸ MAPT P10636 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CHUK O15111 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL30789741 0.97 CUL4A (0.44) CUL4AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30789448 0.92 CUL4A (0.39) CUL4AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30789621 0.83 KMT2A (0.35) CUL4AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30789711 0.79 CUL4A (0.46) CUL4AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30789586 0.76 BCL6 (0.45) CUL4AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL17111487 0.72 CUL4A (0.50) CUL4AMAPTALDH1A1HTTCCNE2
SCHEMBL17111542 0.72 CUL4A (0.50) CUL4AMAPTALDH1A1HTTCCNE2
SCHEMBL31022862 0.71 MAPT (0.57) CUL4AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30789738 0.71 BCL6 (0.38) CUL4AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30789695 0.70 MAPT (0.45) 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
Send feedback