SCHEMBL9704776

SCHEMBL9704776

CCCCc1nc2nc(N)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41

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
SCHEMBL9090094 0.90 ADORA1 (0.40) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL10439327 0.84 PARP1 (0.40) PI4KAPI4K2BPI4K2API4KBPARP1
SCHEMBL9703975 0.81 PARP1 (0.40) PI4KAPI4K2BPI4K2API4KBPARP1
SCHEMBL8641790 0.79 PARP1 (0.39) PI4KAPI4K2BPI4K2API4KBPARP1
SCHEMBL9705920 0.78 PRMT5 (0.41) PI4KAPI4K2BPI4K2API4KBPARP1
SCHEMBL9704690 0.75 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL8326986 0.74 NOS1 (0.54) POLBNOS3NOS1NOS2
SCHEMBL9851422 0.73 MARS2 (0.41) KMT2AKDM4ENOS3NOS1NOS2
SCHEMBL8144258 0.73 MAPT (0.60) PARP1MAPTPKMKMT2AKDM4E
SCHEMBL9705274 0.72 NOS3 (0.48) PI4KAPI4K2BPI4K2API4KBMAPT

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
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed