SCHEMBL22979883

SCHEMBL22979883

CCc1nn(C2CC2)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
BTK Q06187 2/20 0.34
DGAT1 O75907 1/20 0.33
KDM5C P41229 3/20 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
SCHEMBL20551040 0.84 NOTUM (0.36) NOTUMBTKDGAT1JAK2JAK1
SCHEMBL22979405 0.83 KDM4E (0.36) BTKDGAT1MAPTJAK2JAK1
SCHEMBL22979644 0.82 TSHR (0.40) DGAT1MAPTMEN1LMNAKMT2A
SCHEMBL20551867 0.78 NOTUM (0.45) NOTUMGABRPGABRDGABRA1GABRB1
SCHEMBL7318932 0.75 GABRP (0.44) NOTUMGABRPGABRDGABRA1GABRB1
SCHEMBL27737569 0.75 BTK (0.39) NOTUMBTKKDM4CKDM6BMAPT
SCHEMBL27758269 0.75 NOTUM (0.38) NOTUMBTKJAK2JAK1TYK2
SCHEMBL21570191 0.74 POLB (0.39) NOTUMBTKKDM4EROCK2
SCHEMBL27831499 0.74 NOTUM (0.38) NOTUMBTKJAK2JAK1TYK2
SCHEMBL27788040 0.73 L3MBTL1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2

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-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed