SCHEMBL30789707

SCHEMBL30789707

N#Cc1nc2c(cc1[N+](=O)[O-])OC[C@@H]1CCCN21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ AR P10275 1/20 0.32

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
SCHEMBL30789695 0.97 MAPT (0.45) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30789380 0.93 MAPT (0.37) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30789446 0.85 MTOR (0.38) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30789618 0.84 HTR2A (0.36) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30789415 0.81 MEN1 (0.39) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30789403 0.78 MEN1 (0.43) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30789416 0.77 CYP1A2 (0.31) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30789491 0.76 PRKCQ (0.39) MAPTALDH1A1
SCHEMBL30789443 0.73 MEN1 (0.33) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30789654 0.73 NPC1 (0.33) MEN1KMT2ANPC1RAB9AATM

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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