SCHEMBL30258577

SCHEMBL30258577

Nc1nc(N)n(-c2cccc3c2CCCCC3)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 2/20 0.43
ALDH1A1 P00352 6/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ROCK1 Q13464 2/20 0.39
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
KMT2A Q03164 1/20 0.37
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
DHFR P00374 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL30121400 0.70 ALDH1A1 (0.38) HCAR1ALDH1A1HPGDSMN1; SMN2NPBWR1
SCHEMBL9506638 0.67 BCL2L1 (0.47) ALDH1A1HPGDSMN1; SMN2BCL2L1BAD
SCHEMBL16458811 0.67 NUDT1 (0.46)
SCHEMBL30791244 0.67 HCAR1 (0.40) HCAR1ALDH1A1HPGDSMN1; SMN2ROCK1
SCHEMBL31207337 0.66 HCAR1 (0.38) HCAR1ALDH1A1HPGDSMN1; SMN2ROCK1
SCHEMBL4884376 0.66 FLT3 (0.48) HCAR1ALDH1A1HPGDKMT2A
SCHEMBL3801550 0.66 BCL2L1 (0.54) ALDH1A1HPGDSMN1; SMN2BCL2L1BAD
SCHEMBL7952487 0.66 BCL2L1 (0.54) ALDH1A1HPGDSMN1; SMN2BCL2L1BAD
SCHEMBL10789537 0.66 BCL2L1 (0.54) ALDH1A1HPGDSMN1; SMN2BCL2L1BAD
SCHEMBL5923921 0.65 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2ROCK1BCL2L1

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-4138823-A1 METHOD OF SELECTING PATIENTS FOR TREATMENT WITH A COMBINATION OF AN AXL INHIBITOR AND AN IMMUNE CHECKPOINT MODULATOR BerGenBio ASA (NO) 2023-03-01 EP disclosed