SCHEMBL30864149

SCHEMBL30864149

O=C(NC1CC1)c1cnc2ccc(Br)cc2c1Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.51
▸ CSF1R P07333 5/20 0.50
▸ NUDT1 P36639 1/20 0.48
▸ PDE4B Q07343 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ APP P05067 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ NCOR2 Q9Y618 1/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ AURKA O14965 1/20 0.47

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
SCHEMBL29220536 1.00 EGFR (0.51) EGFRCSF1RNUDT1PDE4BHDAC3
SCHEMBL30864145 0.87 EGFR (0.51) EGFRCSF1RNUDT1PDE4BMAPT
SCHEMBL29220504 0.87 EGFR (0.51) EGFRCSF1RNUDT1PDE4BMAPT
SCHEMBL23575535 0.84 NUDT1 (0.48) EGFRCSF1RNUDT1PDE4BMAPT
SCHEMBL18998182 0.84 EGFR (0.61) EGFRCSF1RNUDT1PDE4BHDAC3
SCHEMBL30864150 0.84 EGFR (0.61) EGFRCSF1RNUDT1PDE4BHDAC3
SCHEMBL29220506 0.83 CSF1R (0.56) CSF1RNUDT1KMT2A
SCHEMBL30864153 0.83 CSF1R (0.56) CSF1RNUDT1KMT2A
SCHEMBL23575473 0.82 NUDT1 (0.46) EGFRCSF1RNUDT1MAPTRXFP1
SCHEMBL23575326 0.82 NUDT1 (0.64) EGFRCSF1RNUDT1MAPTERBB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117771374-A Application of NUDT1 in preparing medicine for treating MYC high expression or MYC amplified tumor 武汉大学 2024-03-29 — — CN disclosed
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