SCHEMBL29864632

SCHEMBL29864632

FC(F)(F)c1nc(Cl)nc2cn[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ TRPA1 O75762 3/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ ATF1 P18846 2/20 0.31
▸ NFKB1 P19838 2/20 0.31
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 1/20 0.30
▸ RXRG P48443 1/20 0.30
▸ XPO1 O14980 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
SCHEMBL29863669 0.76 NOS1 (0.37) NOS1HTTPTK2
SCHEMBL25805641 0.75 NOS1 (0.39) NOS1HTTPTK2
SCHEMBL29684443 0.75 NOS1 (0.39) NOS1HTTPTK2
SCHEMBL24553744 0.72 HTT (0.44) NOS1HTTPTK2
SCHEMBL4838398 0.72 NOS1 (0.37) NOS1HTTPTK2
SCHEMBL4830696 0.72 NOS1 (0.37) NOS1HTTPTK2
SCHEMBL10850431 0.71 NT5E (0.42) NOS1TRPA1TRPM8TRPV1HTT
SCHEMBL22119097 0.68 HTT (0.36) NOS1HTTPTK2AXL
SCHEMBL30774307 0.68 HTT (0.36) NOS1HTTPTK2
SCHEMBL25805690 0.68 HTT (0.36) NOS1HTTPTK2

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-4291559-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER Tango Therapeutics, Inc. (US) 2023-12-20 — — EP disclosed
WO-2022174184-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER TANGO THERAPEUTICS, INC. (US) 2022-08-18 — — WO disclosed
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