SCHEMBL27311981

SCHEMBL27311981

C[C@@H]1Cn2c(cc3ncc(F)cc32)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.40
RPS6KA3 P51812 2/20 0.40
HRH3 Q9Y5N1 2/20 0.38
ALOX5 P09917 1/20 0.33
AKR1B1 P15121 1/20 0.32
NTRK1 P04629 8/20 0.32
ROS1 P08922 2/20 0.31
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 1/20 0.31
ALK Q9UM73 1/20 0.31
PER2 O15055 3/20 0.31
CRY2 Q49AN0 1/20 0.31
SCN9A Q15858 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
SCHEMBL27311626 1.00 MAPKAPK2 (0.40) MAPKAPK2RPS6KA3HRH3ALOX5AKR1B1
SCHEMBL27311469 0.77 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3HRH3ALOX5
SCHEMBL27312679 0.77 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3HRH3ALOX5
SCHEMBL30954512 0.77 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3HRH3ALOX5
SCHEMBL30954513 0.77 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3HRH3ALOX5
SCHEMBL27312316 0.74 RPS6KA3 (0.38) MAPKAPK2RPS6KA3HRH3
SCHEMBL27312769 0.71 P2RX7 (0.32) HRH3
SCHEMBL4751694 0.68 HRH3 (0.52) MAPKAPK2RPS6KA3HRH3ALOX5PER2
SCHEMBL16094005 0.65 P2RX7 (0.47)
SCHEMBL16094003 0.65 P2RX7 (0.47)

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
WO-2024118524-A1 AZAINDOLE COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS CEREVEL THERAPEUTICS, LLC (US) 2024-06-06 WO disclosed
WO-2024118524-A1 AZAINDOLE COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS CEREVEL THERAPEUTICS, LLC (US) 2024-06-06 WO disclosed