SCHEMBL31662764

SCHEMBL31662764

Nc1cccc2[nH]c3ncccccccc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.49
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
ALK Q9UM73 2/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EGFR P00533 3/20 0.41
PARP1 P09874 1/20 0.40
CA5A P35218 1/20 0.39
ERBB2 P04626 4/20 0.38
PTK6 Q13882 2/20 0.38
SRC P12931 1/20 0.38
ACVR1 Q04771 1/20 0.38
AURKC Q9UQB9 1/20 0.38

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
SCHEMBL646449 0.76 GABRA1 (0.47) AURKAGABRA1GABRG2GABRB3GABRA5
SCHEMBL7219030 0.76 AURKA (0.68) AURKAGABRA1GABRG2GABRB3GABRA5
SCHEMBL3433644 0.75 IMPDH2 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30678031 0.75 IMPDH2 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13596793 0.73 IMPDH2 (0.58) AURKAGABRA1GABRG2GABRB3GABRA5
SCHEMBL647434 0.73 AXL (0.47) AURKAGABRA1GABRG2GABRB3GABRA5
SCHEMBL22433744 0.73 ERBB2 (0.50) AURKAGABRA1GABRG2GABRB3GABRA5
SCHEMBL5914563 0.73 TDP1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL644972 0.73 TYMS (0.53) AURKAGABRA1GABRG2GABRB3GABRA5
SCHEMBL30198203 0.73 PDK2 (0.57) AURKAGABRA1GABRG2GABRB3GABRA5

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-2025151874-A1 INDOLE ALKALOID ANTIPLASMODIAL AGENTS AND PREPARATION THEREOF UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2025-07-17 WO disclosed