SCHEMBL29680358

SCHEMBL29680358

NCc1n[nH]cc1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.35
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
METAP2 P50579 1/20 0.31
PRMT5 O14744 1/20 0.31
NNMT P40261 1/20 0.30

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
SCHEMBL29391341 0.84 IKBKB (0.36) ALDH1A1ATMMETAP2NNMT
SCHEMBL18989231 0.82 CDC7 (0.36) CDC7ALDH1A1NNMT
SCHEMBL18286040 0.82 ALDH1A1 (0.31) ALDH1A1ATMMETAP2
Hydrochloric Acid SCHEMBL28435492 0.78 HCAR2 (0.37) ALDH1A1NNMT
SCHEMBL15559344 0.78 KDM4E (0.36)
SCHEMBL23012168 0.77 PARP10 (0.35)
SCHEMBL27815355 0.77 GABRP (0.42) CDC7
SCHEMBL27866307 0.75 PLA2G2A (0.46) CDC7ALDH1A1
Sulfuric Acid SCHEMBL28426836 0.74 HCAR2 (0.34) NNMT
SCHEMBL918559 0.72

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-4262807-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 EP disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 WO disclosed