SCHEMBL24553744

SCHEMBL24553744

Cc1nc(Cl)nc2cn[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ PTK2 Q05397 1/20 0.44
▸ NOS1 P29475 1/20 0.37
▸ MAPT P10636 1/20 0.35
▸ SLC2A1 P11166 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL25805641 0.79 NOS1 (0.39) HTTPTK2NOS1
SCHEMBL29684443 0.79 NOS1 (0.39) HTTPTK2NOS1
SCHEMBL20674123 0.79 HTT (0.47) HTTPTK2NOS1MAPTSLC2A1
SCHEMBL21958684 0.76 HTT (0.44) HTTPTK2MAPTSLC2A1
SCHEMBL4830696 0.76 NOS1 (0.37) HTTPTK2NOS1MAPT
SCHEMBL29863669 0.76 NOS1 (0.37) HTTPTK2NOS1SLC2A1
SCHEMBL4838398 0.76 NOS1 (0.37) HTTPTK2NOS1
SCHEMBL22119097 0.76 HTT (0.36) HTTPTK2NOS1
SCHEMBL30774307 0.76 HTT (0.36) HTTPTK2NOS1KMT2A
SCHEMBL25805690 0.76 HTT (0.36) HTTPTK2NOS1

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
WO-2022133037-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2022-06-23 — — WO disclosed
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