SCHEMBL31060458

SCHEMBL31060458

Nc1nc2cccnc2n2cncc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.40
AKT1 P31749 4/20 0.39
GABRA5 P31644 1/20 0.39
AKT2 P31751 2/20 0.38
HTR3E A5X5Y0 3/20 0.37
HTR3B O95264 3/20 0.37
HTR3A P46098 3/20 0.37
HTR3D Q70Z44 3/20 0.37
HTR3C Q8WXA8 3/20 0.37
HTR1A P08908 2/20 0.37
HTR2C P28335 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
AKT3 Q9Y243 1/20 0.35

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
SCHEMBL4038518 0.81 LCK (0.41) LCKGABRA5HTR3EHTR3BHTR3A
SCHEMBL4036600 0.72 LCK (0.73) LCK
SCHEMBL4041472 0.72 LCK (0.70) LCK
SCHEMBL6645541 0.72 PDE10A (0.49) LCK
SCHEMBL31026828 0.71 CHEK1 (0.34) LCK
SCHEMBL1016624 0.70 GABRA5 (0.36) LCKGABRA5HTR3EHTR3BHTR3A
SCHEMBL4036154 0.70 LCK (0.71) LCK
SCHEMBL3320683 0.69 HRH4 (0.36) LCKGABRA5HTR3EHTR3BHTR3A
SCHEMBL4042246 0.69 LCK (0.35) LCK
SCHEMBL4036055 0.69 LCK (0.58) LCK

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-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed